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General   ocmainz inhouse-2  
Spectral Data   Additional Data   Download  
Type: 13C 31.25 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
expt-2
dkfz spektren database
expt-3
Chemikalienlager Uni Mainz
Prediction 4
acd_lotusv7
Prediction 5
hose_lotusv7
1 Q 55.449 56.4556.157.156.101756.0457.1
2 D 129.499 128.2127.6127.4127.588127.09127.4
3 D 116.689 115.55114.5117.0114.392115.27117.0
4 D 110.285 110.15108.9112.4108.737109.97112.4
5 D 193.578 192.5191.0192.2190.993191.2192.2
6 S 125.322 130.55129.7130.4129.805129.88130.4
7 S 159.992 153.14151.8154.6151.712152.7154.6
8 S 149.609 148.5147.3149.7147.147148.08149.7

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Spectral Data   Additional Data   Download  
1H Spectrum
60005858 Rating: 10 (10: 10: nmrshiftdb2 quality check: accept/reliability: excellent (admin))
Type1H
Measurement conditions
Temperature [K]298
SolventDeuteriumoxide (D2O)
Field Strength [MHz]31.25
Assignment Method1H, H,H-COSY, H,H-NOESY, H,C-HMQC, H,C-HMBC, DEPTQ, 1H, 13C, 1H, H,H-COSY
Literature
Additional commentshttp://www.bmrb.wisc.edu/metabolomics/mol_summary/show_data.php?id=bmse000343&whichTab=1
nmrshiftdb2 quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C 150.0 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
expt-2
dkfz spektren database
expt-3
Prediction 4
acd_lotusv7
Prediction 5
hose_lotusv7
1 S 129.8050 130.55129.7130.4125.322129.88130.4
2 D 108.7370 110.15108.9112.4110.285109.97112.4
3 S 147.1470 148.5147.3149.7149.609148.08149.7
3OMe Q 56.1017 56.4556.157.155.44956.0457.1
4 S 151.7120 153.14151.8154.6159.992152.7154.6
5 D 114.3920 115.55114.5117.0116.689115.27117.0
6 D 127.5880 128.2127.6127.4129.499127.09127.4
7 D 190.9930 192.5191.0192.2193.578191.2192.2

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Spectral Data   Additional Data   Download  
Type: 13C 23 Double click to get resizeable window!
Atom
Mult.(coupling const.)
Meas.
Shift
Intensity
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
expt-2
expt-3
Chemikalienlager Uni Mainz
Prediction 4
acd_lotusv7
Prediction 5
hose_lotusv7
1 S 130.4 0.348 130.55129.7125.322129.805129.88130.4
2 D 112.4 0.796 110.15108.9110.285108.737109.97112.4
3 S 149.7 0.509 148.5147.3149.609147.147148.08149.7
4 S 154.6 1.0 153.14151.8159.992151.712152.7154.6
5 D 117.0 0.868 115.55114.5116.689114.392115.27117.0
6 D 127.4 0.68 128.2127.6129.499127.588127.09127.4
7 D 192.2 0.978 192.5191.0193.578190.993191.2192.2
8 Q 57.1 0.828 56.4556.155.44956.101756.0457.1

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
expt-2
dkfz spektren database
expt-3
expt-4
Chemikalienlager Uni Mainz
Prediction 5
hose_lotusv7
1 S 129.88 130.55129.7130.4125.322129.805130.4
2 D 109.97 110.15108.9112.4110.285108.737112.4
3 S 148.08 148.5147.3149.7149.609147.147149.7
4 S 152.70 153.14151.8154.6159.992151.712154.6
5 D 115.27 115.55114.5117.0116.689114.392117.0
6 D 127.09 128.2127.6127.4129.499127.588127.4
7 D 191.20 192.5191.0192.2193.578190.993192.2
8 Q 56.04 56.4556.157.155.44956.101757.1

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Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
expt-1
ocmainz inhouse-2
expt-2
dkfz spektren database
expt-3
expt-4
Chemikalienlager Uni Mainz
Prediction 5
acd_lotusv7
1 S 130.4 130.55129.7130.4125.322129.805129.88
2 D 112.4 110.15108.9112.4110.285108.737109.97
3 S 149.7 148.5147.3149.7149.609147.147148.08
4 S 154.6 153.14151.8154.6159.992151.712152.7
5 D 117.0 115.55114.5117.0116.689114.392115.27
6 D 127.4 128.2127.6127.4129.499127.588127.09
7 D 192.2 192.5191.0192.2193.578190.993191.2
8 Q 57.1 56.4556.157.155.44956.101756.04

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