| SpectraBase Spectrum ID |
HdfSQAXaGgb |
| Name |
7-Decenoic acid, 4-oxo-, ethyl ester, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5- |
| InChIKey |
XBOWOKOGHZCGDS-WAYWQWQTSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C(=O)(CCC(=O)CC\C=C/CC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98278 |
