| SpectraBase Spectrum ID |
AUO7FmdVefW |
| Name |
Cyclopentanecarboxylic acid, 2-(2-hydroxyethyl)-4-isopropyldene-, methyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.156894565 u |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C10H18O.C2H4O2/c1-8(2)10-4-3-9(7-10)5-6-11;1-4-2-3/h9,11H,3-7H2,1-2H3;2H,1H3 |
| InChIKey |
SJXYSTNPHTXFMW-UHFFFAOYSA-N |
| Molecular Weight |
214.305 g/mol |
| Nominal Mass |
214 u |
| SMILES |
C(=O)OC.OCCC1CC(CC1)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937505 |
