SpectraBase Spectrum ID |
13Phv70b59a |
Name |
(2-Methyl-2-phenylcyclohexyl)acetic acid, (trans)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.146329882 u |
Formula |
C15H20O2 |
InChI |
InChI=1S/C15H20O2/c1-15(12-7-3-2-4-8-12)10-6-5-9-13(15)11-14(16)17/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,17) |
InChIKey |
ARICQTULAMMFRI-UHFFFAOYSA-N |
Molecular Weight |
232.323 g/mol |
SMILES |
C1=CC(=CC=C1)C1(C(CCCC1)CC(O)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890535 |