| SpectraBase Compound ID | jSVW0pfuX8 |
|---|---|
| InChI | InChI=1S/C8H6BrNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | ZKKCLKYKTRUIKW-UHFFFAOYSA-N |
| Mol Weight | 260.04 g/mol |
| Molecular Formula | C8H6BrNO4 |
| Exact Mass | 258.948021 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HMybfvBTP1G |
|---|---|
| Name | 5-Bromo-2-nitrophenylacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.948020673 u |
| Formula | C8H6BrNO4 |
| InChI | InChI=1S/C8H6BrNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | ZKKCLKYKTRUIKW-UHFFFAOYSA-N |
| Molecular Weight | 260.043 g/mol |
| SMILES | C(O)(CC1=CC(=CC=C1N(=O)=O)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988074 |