![Benzoic acid, 4-[(ethoxycarbonyl)amino]-](/api/spectrum/1BNIGskRSBf/structure.png?h=300&w=458 "Benzoic acid, 4-[(ethoxycarbonyl)amino]-")
| SpectraBase Compound ID | 5WhbPLx2onw |
|---|---|
| InChI | InChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-7(4-6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13) |
| InChIKey | LRQYSIQVFJYQNK-UHFFFAOYSA-N |
| Mol Weight | 209.2 g/mol |
| Molecular Formula | C10H11NO4 |
| Exact Mass | 209.068808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1BNIGskRSBf |
|---|---|
| Name | Benzoic acid, 4-[(ethoxycarbonyl)amino]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.068807834 u |
| Formula | C10H11NO4 |
| InChI | InChI=1S/C10H11NO4/c1-2-15-10(14)11-8-5-3-7(4-6-8)9(12)13/h3-6H,2H2,1H3,(H,11,14)(H,12,13) |
| InChIKey | LRQYSIQVFJYQNK-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=C(C=C1)NC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957164 |