| SpectraBase Spectrum ID |
KE9B2GUZ0xw |
| Name |
3-Bromobenzoic acid, 5-fluoro-2-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.954248868 u |
| Formula |
C13H7BrFNO4 |
| InChI |
InChI=1S/C13H7BrFNO4/c14-9-3-1-2-8(6-9)13(17)20-12-7-10(15)4-5-11(12)16(18)19/h1-7H |
| InChIKey |
SWPIYHGPBHSHRR-UHFFFAOYSA-N |
| Molecular Weight |
340.104 g/mol |
| SMILES |
C1(=CC=CC(=C1)Br)C(OC1=CC(=CC=C1N(=O)=O)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908883 |
