| SpectraBase Spectrum ID |
JyvFe7wIYvh |
| Name |
Fumaric acid, isohexyl 1-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/c1-4-17(16-10-6-5-7-11-16)23-19(21)13-12-18(20)22-14-8-9-15(2)3/h5-7,10-13,15,17H,4,8-9,14H2,1-3H3/b13-12+ |
| InChIKey |
BNQAJIBLXJXRGT-OUKQBFOZSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C(\C=C\C(OC(CC)C1=CC=CC=C1)=O)(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826739 |
