| SpectraBase Spectrum ID |
6772KydEp1s |
| Name |
Fumaric acid, butyl 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.151809184 u |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-3-5-13-20-16(18)11-12-17(19)21-15-10-7-6-9-14(15)8-4-2/h6-7,9-12H,3-5,8,13H2,1-2H3/b12-11+ |
| InChIKey |
CLXPPLNGQHQZBY-VAWYXSNFSA-N |
| SMILES |
CCCC1=C(OC(\C=C\C(OCCCC)=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847157 |
