| SpectraBase Spectrum ID |
BlhBtYlGGUR |
| Name |
Fumaric acid, decyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-2-3-4-5-6-7-8-12-19-26-22(24)17-18-23(25)27-20-13-16-21-14-10-9-11-15-21/h9-11,14-15,17-18H,2-8,12-13,16,19-20H2,1H3/b18-17+ |
| InChIKey |
HNQJLMFLPYLWEE-ISLYRVAYSA-N |
| Molecular Weight |
374.521 g/mol |
| SMILES |
C(OC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922211 |
