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Spectral Data   Additional Data   Download  
Molecule
20226249
Chemical name(s)
Chemical formulaC26H20O2PCl
Molecular weight430.863
Number of double bond equivalents (DBEs)17.0
Number of all rings, size of smallest set of smallest rings5, 5
Canonical name(s)
CAS-Number
Additional information Deposition in PubChem;
Links from Unichem: PubChem Compounds;SureChEMBL
Molecule keywordsphosphine
DOI
13C Spectrum
20231253 Rating: 10 (10:
CSEARCH quality check: Accept
(admin))
Type13C
Measurement conditions
Temperature [K]297
SolventMethylenchloride-D2 (CD2Cl2)
Field Strength [MHz]100.6
Assignment Method1H-1H COSY, HMBC,HMQC
Literature D. Selent et al.: A New Diphosphite Promoting Highly Regioselective Rhodium-Catalyzed Hydroformylation, in: Organometallics, vol. 30/2011, pp. 4509 - 4514 (DOI: 10.1021/om2000508).
Additional commentschemical shift reference: CD2Cl2 53.8 ppm
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
1 S 89.5 97.4
2 S 89.5 97.4
3 D 128.3 128.8
4 D 128.4 127.6
5 D 129.0 128.0
6 D 128.4 127.6
7 D 128.3 128.8
8 S 139.3 141.2
9 D 128.3 130.2
10 D 128.4 127.9
11 D 129.0 128.4
12 D 128.4 127.9
13 D 128.3 130.2
14 S 139.3 141.5
15 D 128.3 130.2
16 D 128.4 127.9
17 D 129.0 128.4
18 D 128.4 127.9
19 D 128.3 130.2
20 S 139.3 141.5
21 D 128.3 128.8
22 D 128.4 127.6
23 D 129.0 128.0
24 D 128.4 127.6
25 D 128.3 128.0
26 S 139.3 141.2





Spectral Data   Additional Data   Download  
Type: 1H 400.13
Atom
Mult.(coupling const.)
Meas.
Shift
3-H 7.03
4-H 7.10
5-H 7.19
6-H 7.10
7-H 7.03
9-H 7.56
10-H 7.24
11-H 7.31
12-H 7.24
13-H 7.56
15-H 7.56
16-H 7.24
17-H 7.31
18-H 7.24
19-H 7.56
21-H 7.03
22-H 7.10
23-H 7.19
24-H 7.10
25-H 7.03





Spectral Data   Additional Data   Download  
Type: 31P 121.5
Atom
Mult.(coupling const.)
Meas.
Shift
28 172.9






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