| SpectraBase Spectrum ID |
LHqvvhFecXK |
| Name |
Fumaric acid, hexyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-4-7-9-10-15-21-17(19)13-14-18(20)22-16(11-6-3)12-8-5-2/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey |
HVCQCTOQQNOKCP-BUHFOSPRSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(\C=C\C(OC(CCCC)CCC)=O)(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929154 |
