| SpectraBase Spectrum ID |
m1jQOtzKeQ |
| Name |
cis-3-(1-Hydroxyethyl)-2,2-dimethylcyclopropane-1-carboxylic 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/c1-4(9)5-6(7(10)11)8(5,2)3/h4-6,9H,1-3H3,(H,10,11)/t4?,5-,6-/m1/s1 |
| InChIKey |
VMJFHSHETYIMPT-YSLANXFLSA-N |
| Molecular Weight |
158.197 g/mol |
| SMILES |
C1([C@@](C(=O)O)([C@]1(C(O)C)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910931 |
