SpectraBase Spectrum ID |
HNDWeYPURLR |
Name |
7-Phenyl-1-(3'-isopropyl-5'-methylcyclohexyl)-2-hepten-1.alpha.-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
328.276615778 u |
Formula |
C23H36O |
InChI |
InChI=1S/C23H36O/c1-18(2)21-15-19(3)16-22(17-21)23(24)14-10-5-4-7-11-20-12-8-6-9-13-20/h6,8-10,12-14,18-19,21-24H,4-5,7,11,15-17H2,1-3H3/b14-10+ |
InChIKey |
XQMDFNFOHPIORC-GXDHUFHOSA-N |
Molecular Weight |
328.540 g/mol |
SMILES |
C1(CC(C(C)C)CC(C1)C)C(\C=C\CCCCC1=CC=CC=C1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861589 |