| SpectraBase Spectrum ID |
DPioxsqkOgp |
| Name |
Fumaric acid, 4-bromophenyl 2-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.974649961 u |
| Formula |
C16H10BrFO4 |
| InChI |
InChI=1S/C16H10BrFO4/c17-11-5-7-12(8-6-11)21-15(19)9-10-16(20)22-14-4-2-1-3-13(14)18/h1-10H/b10-9+ |
| InChIKey |
PBNWQAHQQRKUNI-MDZDMXLPSA-N |
| Molecular Weight |
365.154 g/mol |
| SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913552 |
