| SpectraBase Spectrum ID |
AB9Jgdrr83l |
| Name |
(aS,S)-1-(4-tert-Butylcyclohexylidene)-3-methyl-1-phenyl-butan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O |
| InChI |
InChI=1S/C21H32O/c1-15(2)20(22)19(16-9-7-6-8-10-16)17-11-13-18(14-12-17)21(3,4)5/h6-10,15,18,20,22H,11-14H2,1-5H3/b19-17-/t18-,20-/m0/s1 |
| InChIKey |
SKOUZQFIIRIYNS-VMNXEWPISA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201904862 |
| Molecular Weight |
300.486 g/mol |
| Optical Rotation |
[a]D = -32.0 (c = 0.49, n-hexane) |
| Reported Formula |
C21H32O |
| SMILES |
O[C@](\C(=C\1CC[C@](CC1)(C(C)(C)C)[H])c1ccccc1)(C(C)C)[H] |
| SPLASH |
splash10-0a4i-1690000000-5ed42af5ccc0bd53b6ac |
| Sample Comments |
major |
| Source of Spectrum |
QE-26-SM27-(aS,S)-14f |
| Wiley ID |
1858547 |
