| SpectraBase Spectrum ID |
AhkdaNpVSsb |
| Name |
(1R,3S)-3-(p-Acetylphenyl)cyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-10(15)11-5-7-12(8-6-11)13-3-2-4-14(16)9-13/h5-8,13-14,16H,2-4,9H2,1H3/t13-,14+/m0/s1 |
| InChIKey |
DGMJTESFDAUACT-UONOGXRCSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
[C@]1(C=2C=CC(=CC2)C(=O)C)(C[C@](O)(CCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851333 |
