| SpectraBase Spectrum ID |
5HgwJSKMwKB |
| Name |
Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-bromophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.015706312 u |
| Formula |
C17H14BrNO3 |
| InChI |
InChI=1S/C17H14BrNO3/c1-19(14-5-3-2-4-6-14)16(20)11-12-17(21)22-15-9-7-13(18)8-10-15/h2-12H,1H3/b12-11+ |
| InChIKey |
UKUMPJAFVXSDSP-VAWYXSNFSA-N |
| Molecular Weight |
360.207 g/mol |
| SMILES |
C1=C(C=CC(=C1)Br)OC(=O)\C=C\C(N(C)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909103 |
