| SpectraBase Compound ID | 4OJnn3HPwx2 |
|---|---|
| InChI | InChI=1S/C7H7N3O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,8H2,(H2,9,11) |
| InChIKey | FHIFCKSBNKKCJM-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C7H7N3O3 |
| Exact Mass | 181.048741 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1TTwKwejRLn |
|---|---|
| Name | 2-Amino-4-nitrobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.048741094 u |
| Formula | C7H7N3O3 |
| InChI | InChI=1S/C7H7N3O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,8H2,(H2,9,11) |
| InChIKey | FHIFCKSBNKKCJM-UHFFFAOYSA-N |
| Molecular Weight | 181.151 g/mol |
| SMILES | C=1(N(=O)=O)C=C(N)C(=CC1)C(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980716 |