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Spectral Data   Additional Data   Download  
Molecule
20240974
Chemical name(s)(3R,4R,5Z)-4,7-Dimethyl-1-phenyloct-5-en-3-ol
Double bond configurations specified for the bond from: 4 to 5
Chemical formulaC16H24O
Molecular weight232.362
Number of double bond equivalents (DBEs)5.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number
Additional information Deposition in PubChem;
Links from Unichem:
Molecule keywords
DOI
13C Spectrum
20245836 Rating: 10 (10: (admin))
Type13C
Measurement conditions
Temperature [K]Unreported
SolventChloroform-D1 (CDCl3)
Field Strength [MHz]100.0
Assignment MethodUnreported
Literature Jack L.-Y. Chen; Helen K. Scott; Matthew J. Hesse; Christine L. Willis; Varinder K. Aggarwal: Highly Diastereo- and Enantioselective Allylboration of Aldehydes using α-Substituted Allyl/Crotyl Pinacol Boronic Esters via in Situ Generated Borinic Esters, in: Journal of the American Chemical Society, vol. 135/2013, pp. 5316 - 5319 (DOI: 10.1021/ja401564z).
Additional comments
CSEARCH quality report Download
Additional information
Spectrum categories



Spectral Data   Additional Data   Download  
Type: 13C
Atom
No. ⇓
Mult.(coupling const.)
CSEARCH-Prediction
Shift
expt-0
1 T 31.0 35.8
2 D 74.3 74.4
3 D 39.7 38.5
4 D 132.8 128.8
5 D 136.3 140.1
6 D 27.9 27.0
7 Q 22.8 23.3
8 D 128.4 128.3
9 S 141.5 142.4
10 T 32.5 32.1
11 Q 16.2 17.4
12 Q 22.8 23.4
13 D 128.4 128.3
14 D 128.6 128.5
15 D 126.3 125.7
16 D 128.6 128.5






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