| SpectraBase Compound ID | HymJrh0gO4A |
|---|---|
| InChI | InChI=1S/C9H10N2O4/c1-2-15-9(12)7-4-3-6(11(13)14)5-8(7)10/h3-5H,2,10H2,1H3 |
| InChIKey | WTHFROVMUKFWCO-UHFFFAOYSA-N |
| Mol Weight | 210.19 g/mol |
| Molecular Formula | C9H10N2O4 |
| Exact Mass | 210.064057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Wh8qiG2bdx |
|---|---|
| Name | Ethyl 4-nitroanthranilate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.064056806 u |
| Formula | C9H10N2O4 |
| InChI | InChI=1S/C9H10N2O4/c1-2-15-9(12)7-4-3-6(11(13)14)5-8(7)10/h3-5H,2,10H2,1H3 |
| InChIKey | WTHFROVMUKFWCO-UHFFFAOYSA-N |
| Molecular Weight | 210.189 g/mol |
| SMILES | C1=C(C=C(C(=C1)C(OCC)=O)N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950817 |