| SpectraBase Spectrum ID |
4R2Bmon2Avx |
| Name |
Methyl 8-(3-oxo-2-pent-2-enylcyclopentyl)octanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.235144887 u |
| Formula |
C19H32O3 |
| InChI |
InChI=1S/C19H32O3/c1-3-4-8-12-17-16(14-15-18(17)20)11-9-6-5-7-10-13-19(21)22-2/h4,8,16-17H,3,5-7,9-15H2,1-2H3/b8-4+/t16-,17+/m0/s1 |
| InChIKey |
XOZWUZWSKNEMSR-ACISRZNPSA-N |
| Molecular Weight |
308.462 g/mol |
| SMILES |
C1([C@@]([C@@](CCCCCCCC(=O)OC)(CC1)[H])(C\C=C\CC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899525 |
