| SpectraBase Spectrum ID |
IgHsC1PbNvq |
| Name |
Fumaric acid, 4-bromobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.015371959 u |
| Formula |
C14H15BrO4 |
| InChI |
InChI=1S/C14H15BrO4/c1-2-9-18-13(16)7-8-14(17)19-10-11-3-5-12(15)6-4-11/h3-8H,2,9-10H2,1H3/b8-7+ |
| InChIKey |
JPCBTEUKMMBUES-BQYQJAHWSA-N |
| Molecular Weight |
327.174 g/mol |
| SMILES |
C(\C=C\C(OCC1=CC=C(C=C1)Br)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872638 |
