| SpectraBase Spectrum ID |
GNUbX1Y3iGS |
| Name |
Sebacic acid, trans-3-hexenyl propyl 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/c1-3-5-6-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-4-2/h5-6H,3-4,7-17H2,1-2H3/b6-5+ |
| InChIKey |
SKJOOCLWQWOCMV-AATRIKPKSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCCC(OCC\C=C\CC)=O)CCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.99189 |
