| SpectraBase Spectrum ID |
AoxW3VdhAr8 |
| Name |
Sebacic acid, pentyl trans-3-hexenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3/b7-5+ |
| InChIKey |
YDPUFZCPFSPOLQ-FNORWQNLSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
CC\C=C\CCOC(CCCCCCCCC(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889915 |
