| SpectraBase Compound ID | 2WAjLKgytxv |
|---|---|
| InChI | InChI=1S/C9H6ClNO3/c1-11-6-4-2-3-5(10)7(6)8(12)14-9(11)13/h2-4H,1H3 |
| InChIKey | BTNWNXWHFWYONH-UHFFFAOYSA-N |
| Mol Weight | 211.6 g/mol |
| Molecular Formula | C9H6ClNO3 |
| Exact Mass | 211.003621 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8vAJDrZMTZI |
|---|---|
| Name | 5-Chloro-N-methylisatoic anhydrazide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.003620754 u |
| Formula | C9H6ClNO3 |
| InChI | InChI=1S/C9H6ClNO3/c1-11-6-4-2-3-5(10)7(6)8(12)14-9(11)13/h2-4H,1H3 |
| InChIKey | BTNWNXWHFWYONH-UHFFFAOYSA-N |
| Molecular Weight | 211.604 g/mol |
| SMILES | C12=C(C=CC=C2Cl)N(C(OC1=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933852 |