| SpectraBase Compound ID | AXMb0adcsz3 |
|---|---|
| InChI | InChI=1S/C8H7NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-5H,1H3 |
| InChIKey | ATLCWADLCUCTLL-UHFFFAOYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JiNRiCaBiJW |
|---|---|
| Name | 2-Methyl-3-nitrobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.042593086 u |
| Formula | C8H7NO3 |
| InChI | InChI=1S/C8H7NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-5H,1H3 |
| InChIKey | ATLCWADLCUCTLL-UHFFFAOYSA-N |
| Molecular Weight | 165.148 g/mol |
| SMILES | C(C=1C(=C(C=CC1)N(=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863043 |