| SpectraBase Spectrum ID |
LFxbS6vrnkH |
| Name |
Fumaric acid, isohexyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-16(2)8-6-14-22-18(20)12-13-19(21)23-15-7-11-17-9-4-3-5-10-17/h3-5,9-10,12-13,16H,6-8,11,14-15H2,1-2H3/b13-12+ |
| InChIKey |
BGBSEVWZEXEUOD-OUKQBFOZSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C(\C=C\C(OCCCC1=CC=CC=C1)=O)(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932361 |
