| SpectraBase Spectrum ID |
1KXGfU4SL00 |
| Name |
(S)-2-allyl-2-(3-methoxyphenyl)cyclohexan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.146329882 u |
| Formula |
C16H20O2 |
| InChI |
InChI=1S/C16H20O2/c1-3-10-16(11-5-4-9-15(16)17)13-7-6-8-14(12-13)18-2/h3,6-8,12H,1,4-5,9-11H2,2H3/t16-/m1/s1 |
| InChIKey |
LDEIIVBUJLAHSD-MRXNPFEDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
244.334 g/mol |
| Optical Rotation |
[a]D = +239.8 (c = 0.9, CH2Cl2) |
| Quality |
47 |
| Reported Formula |
C16H20O2 |
| SMILES |
C1C([C@](CCC1)(C1=CC(=CC=C1)OC)CC=C)=O |
| SPLASH |
splash10-00di-0930000000-3ae6c184e4b721dd5bc8 |
| Sample Comments |
er = 97:3 (method A), 95:5 (method B) |
| Source of Spectrum |
ACI-55-SM11-2e (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897446 |
