| SpectraBase Spectrum ID |
60AHQXg7c1K |
| Name |
Adipic acid, butyl cis-non-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-3-5-7-8-9-10-13-17-23-19(21)15-12-11-14-18(20)22-16-6-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9- |
| InChIKey |
YCOFRKHNFQCAHF-KTKRTIGZSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCC(OCC\C=C/CCCCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886963 |
