| SpectraBase Compound ID | AmJMR70aZ9I |
|---|---|
| InChI | InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11) |
| InChIKey | UENRXLSRMCSUSN-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 | D2quRwcoYPX |
|---|---|
| Name | 3,5-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/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11) |
| InChIKey | UENRXLSRMCSUSN-UHFFFAOYSA-N |
| Molecular Weight | 152.153 g/mol |
| SMILES | OC(C=1C=C(C=C(C1)N)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.964719 |