SpectraBase Spectrum ID |
DSCe2wBIfDV |
Name |
2-(1-Cyclohexenyl)-4-phenylbutan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.167065327 u |
Formula |
C16H22O |
InChI |
InChI=1S/C16H22O/c1-16(17,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h2,4-5,8-10,17H,3,6-7,11-13H2,1H3 |
InChIKey |
YILIPRNTZWVOOH-UHFFFAOYSA-N |
Molecular Weight |
230.351 g/mol |
SMILES |
C1(C(CCC=2C=CC=CC2)(O)C)=CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935848 |