| SpectraBase Compound ID | D4zdMqOpFLi |
|---|---|
| InChI | InChI=1S/C8H8N2O3/c1-9-8(11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11) |
| InChIKey | UZWAQQSVGQEZRY-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C8H8N2O3 |
| Exact Mass | 180.053492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4pXxBY3aNc |
|---|---|
| Name | N-Methyl-p-nitrobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.053492123 u |
| Formula | C8H8N2O3 |
| InChI | InChI=1S/C8H8N2O3/c1-9-8(11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11) |
| InChIKey | UZWAQQSVGQEZRY-UHFFFAOYSA-N |
| Molecular Weight | 180.163 g/mol |
| SMILES | C1=CC(N(=O)=O)=CC=C1C(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972727 |