| SpectraBase Spectrum ID |
ItUVMPmtJzd |
| Name |
Fumaric acid, 4-octyl hept-2-yl 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/c1-5-8-10-12-16(4)22-18(20)14-15-19(21)23-17(11-7-3)13-9-6-2/h14-17H,5-13H2,1-4H3/b15-14+ |
| InChIKey |
WYDVFLIZPNRWNR-CCEZHUSRSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(\C=C\C(OC(C)CCCCC)=O)(OC(CCCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983655 |
