| SpectraBase Compound ID | Le7HaaPdCMq |
|---|---|
| InChI | InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H |
| InChIKey | MZPNQUMLOFWSEK-UHFFFAOYSA-N |
| Mol Weight | 185.57 g/mol |
| Molecular Formula | C7H4ClNO3 |
| Exact Mass | 184.987971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 27mk5lRg5rL |
|---|---|
| Name | Benzaldehyde, 4-chloro-2-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.987970690 u |
| Formula | C7H4ClNO3 |
| InChI | InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H |
| InChIKey | MZPNQUMLOFWSEK-UHFFFAOYSA-N |
| Molecular Weight | 185.566 g/mol |
| SMILES | C(=O)C1=CC=C(Cl)C=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974037 |