| SpectraBase Spectrum ID |
3IINivVnY0j |
| Name |
(S)-2-allyl-2-(p-tolyl)cyclohexan-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O |
| InChI |
InChI=1S/C16H20O/c1-3-11-16(12-5-4-6-15(16)17)14-9-7-13(2)8-10-14/h3,7-10H,1,4-6,11-12H2,2H3/t16-/m1/s1 |
| InChIKey |
BKEIVAOIAIQNHZ-MRXNPFEDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
228.335 g/mol |
| Optical Rotation |
[a]D = +225.0 (c = 0.55, CH2Cl2) |
| Quality |
123 |
| Reported Formula |
C16H20O |
| SMILES |
C1C([C@](CCC1)(C1=CC=C(C=C1)C)CC=C)=O |
| SPLASH |
splash10-0a4i-0900000000-0c78d9629219c07acc27 |
| Sample Comments |
er = 97:3 |
| Source of Spectrum |
ACI-55-SM10-2d (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897445 |
