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General   NMReDATA_chemie koeln_Classics in Spectroscopy/Chloroform-D1 (CDCl3)  
Spectral Data   Additional Data   Download  
Molecule
20213347
Chemical name(s)1,4-Dimethyl-7-ethylazulene; 7-ethyl-1,4-dimethylazulene; Camazulene; Chamazulene; Dimethulene
Chemical formulaC14H16
Molecular weight184.277
Number of double bond equivalents (DBEs)7.0
Number of all rings, size of smallest set of smallest rings3, 2
Canonical name(s)
CAS-Number 529-05-5
Additional information wikidata;
Links from Unichem: ChemicalBook;Human Metabolome Database (HMDB);PubChem ('Thomson Pharma' subset);Probes And Drugs;ACToR;FDA/USP Substance Registration System (SRS);KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand... (truncated)
Molecule keywords
DOI
13C Spectrum
20221071 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments15739.MOL.D3
Additional information
Spectrum categoriesocmainz inhouse-2



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 D 137.07 134.7134.7
2 S 143.87 135.7135.7
3 D 133.30 136.4136.4
4 D 127.66 125.0125.0
5 S 145.81 144.3144.3
6 S 136.41 137.4137.4
7 S 137.15 136.2136.2
8 D 136.79 136.1136.1
9 S 127.19 125.1125.1
10 D 115.81 112.8112.8
11 T 28.87 33.833.8
12 Q 15.76 17.417.4
13 Q 24.08 24.124.1
14 Q 12.90 12.912.9

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 D 134.7 134.7137.07
2 S 135.7 135.7143.87
3 D 136.4 136.4133.3
4 D 125.0 125.0127.66
5 S 144.3 144.3145.81
6 S 137.4 137.4136.41
7 S 136.2 136.2137.15
8 D 136.1 136.1136.79
9 S 125.1 125.1127.19
10 D 112.8 112.8115.81
11 T 33.8 33.828.87
12 Q 17.4 17.415.76
13 Q 24.1 24.124.08
14 Q 12.9 12.912.9

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