| SpectraBase Compound ID | Dwgnvryth74 |
|---|---|
| InChI | InChI=1S/C8H6BrNO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2 |
| InChIKey | HVNXGOPARVAZNX-UHFFFAOYSA-N |
| Mol Weight | 260.04 g/mol |
| Molecular Formula | C8H6BrNO4 |
| Exact Mass | 258.948021 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5DdmQfSMoVD |
|---|---|
| Name | para-Nitrophenyl-2-bromoacetate |
| 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/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2 |
| InChIKey | HVNXGOPARVAZNX-UHFFFAOYSA-N |
| Molecular Weight | 260.043 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(OC(=O)CBr)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98792 |