| SpectraBase Spectrum ID |
CpxeOKrZ3Gx |
| Name |
Fumaric acid, 3-phenylpropyl 3-methylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| InChI |
InChI=1S/C18H24O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3/b12-11+ |
| InChIKey |
ZHMLFTLVMAJOHS-VAWYXSNFSA-N |
| SMILES |
C(\C=C\C(OC(C(C)C)C)=O)(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965817 |
