| SpectraBase Spectrum ID |
FOOCzVeO53E |
| Name |
[(1R,2R)-2-((Z)-hex-2-Enyl)-3-oxo-cyclopentyl]-acetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.156894565 u |
| Formula |
C14H22O3 |
| InChI |
InChI=1S/C14H22O3/c1-3-4-5-6-7-12-11(8-9-13(12)15)10-14(16)17-2/h5-6,11-12H,3-4,7-10H2,1-2H3/b6-5-/t11-,12-/m1/s1 |
| InChIKey |
RIUFXIPDMSRBSP-GKKDLHFNSA-N |
| Molecular Weight |
238.327 g/mol |
| SMILES |
[C@@]1([C@](C(=O)CC1)(C\C=C/CCC)[H])(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811672 |
![[(1R,2R)-2-((Z)-Hex-2-enyl)-3-oxo-cyclopentyl]-acetic acid methyl ester](/api/spectrum/FOOCzVeO53E/structure.png?h=300&w=458 "[(1R,2R)-2-((Z)-Hex-2-enyl)-3-oxo-cyclopentyl]-acetic acid methyl ester")
