| SpectraBase Compound ID | LJjqBxlkaql |
|---|---|
| InChI | InChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,9H2,1H3,(H,11,12) |
| InChIKey | QZZIBMYRWBVKLM-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C8H10N2O2 |
| Exact Mass | 166.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JdvSB0rfjdo |
|---|---|
| Name | 3-Amino-4-(methylamino)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.074227568 u |
| Formula | C8H10N2O2 |
| InChI | InChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,9H2,1H3,(H,11,12) |
| InChIKey | QZZIBMYRWBVKLM-UHFFFAOYSA-N |
| Molecular Weight | 166.180 g/mol |
| SMILES | C1=CC(=C(C=C1C(O)=O)N)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845886 |