| SpectraBase Spectrum ID |
6plsd7bPCl1 |
| Name |
Fumaric acid, cis-non-3-enyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h10-11,14-15H,3-9,12-13,16-17H2,1-2H3/b11-10-,15-14+ |
| InChIKey |
BAQJAYQDZOWVIE-HHAKQIEWSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(\C=C\C(OCCCCCC)=O)(OCC\C=C/CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817737 |
