| SpectraBase Compound ID | 47L1sfLvNFH |
|---|---|
| InChI | InChI=1S/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11) |
| InChIKey | HEMGYNNCNNODNX-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C7H8N2O2 |
| Exact Mass | 152.058578 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ca9Hyk5qxRj |
|---|---|
| Name | 3,4-Diaminobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.058577504 u |
| Formula | C7H8N2O2 |
| InChI | InChI=1S/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11) |
| InChIKey | HEMGYNNCNNODNX-UHFFFAOYSA-N |
| SMILES | NC=1C(=CC=C(C(O)=O)C1)N |
| Spectrum/Structure Validation Score (Raman) | 0.804374 |