SpectraBase Spectrum ID |
I60Hjr1XLY7 |
Name |
cis-4-(Hydroxymethyl)cyclohexanecarboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
158.094294308 u |
Formula |
C8H14O3 |
InChI |
InChI=1S/C8H14O3/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+ |
InChIKey |
VQMIUUBKKPIDBN-KNVOCYPGSA-N |
Molecular Weight |
158.197 g/mol |
SMILES |
[C@]1(CC[C@](CC1)(CO)[H])(C(=O)O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901977 |