| SpectraBase Compound ID | 8n33i4SEOFM |
|---|---|
| InChI | InChI=1S/C8H8N2O3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,9H2,1H3 |
| InChIKey | OZXKGJXFDISTBG-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 | Ce7x8nAw5y2 |
|---|---|
| Name | Ethanone, 1-(5-amino-2-nitrophenyl)- |
| 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/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,9H2,1H3 |
| InChIKey | OZXKGJXFDISTBG-UHFFFAOYSA-N |
| Molecular Weight | 180.163 g/mol |
| SMILES | CC(C1=C(N(=O)=O)C=CC(=C1)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889156 |