SpectraBase Spectrum ID |
A2w7xDaRhSX |
Name |
1-[(Benzyloxy)methyl]-2-methylcyclohexanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.161979946 u |
Formula |
C15H22O2 |
InChI |
InChI=1S/C15H22O2/c1-13-7-5-6-10-15(13,16)12-17-11-14-8-3-2-4-9-14/h2-4,8-9,13,16H,5-7,10-12H2,1H3 |
InChIKey |
AMIHZCBGMCLFQL-UHFFFAOYSA-N |
Molecular Weight |
234.339 g/mol |
SMILES |
C1(C(C)CCCC1)(O)COCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86525 |