| SpectraBase Spectrum ID |
LVEGL6v1Sxb |
| Name |
(S)-2-allyl-2-benzylcyclohexan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O |
| InChI |
InChI=1S/C16H20O/c1-2-11-16(12-7-6-10-15(16)17)13-14-8-4-3-5-9-14/h2-5,8-9H,1,6-7,10-13H2/t16-/m1/s1 |
| InChIKey |
DHETWGFMCLJBBG-MRXNPFEDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
228.335 g/mol |
| Optical Rotation |
[a]D = -7.69 (c = 0.13, hexane) |
| Quality |
73 |
| Reported Formula |
C16H20O |
| SMILES |
C1C([C@](CCC1)(CC1=CC=CC=C1)CC=C)=O |
| SPLASH |
splash10-000f-9700000000-67404583e4f6cd3edf2a |
| Sample Comments |
er = 98:2 |
| Source of Spectrum |
ACI-55-SM13-2i (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897450 |
