| SpectraBase Compound ID | 7hUsVHvt5S5 |
|---|---|
| InChI | InChI=1S/C8H6ClNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | ISSGDBWGQCOTNA-UHFFFAOYSA-N |
| Mol Weight | 215.59 g/mol |
| Molecular Formula | C8H6ClNO4 |
| Exact Mass | 214.998535 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BT53pVeF2Cu |
|---|---|
| Name | 5-Chloro-2-nitrophenylacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.998535373 u |
| Formula | C8H6ClNO4 |
| InChI | InChI=1S/C8H6ClNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | ISSGDBWGQCOTNA-UHFFFAOYSA-N |
| Molecular Weight | 215.592 g/mol |
| SMILES | C(O)(CC1=CC(=CC=C1N(=O)=O)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991739 |