![3-[(2-Thienylmethyl)amino]benzoic acid](/api/spectrum/LCiCa5IzWKI/structure.png?h=300&w=458 "3-[(2-Thienylmethyl)amino]benzoic acid")
| SpectraBase Compound ID | 8LJ1HuGHDFp |
|---|---|
| InChI | InChI=1S/C12H11NO2S/c14-12(15)9-3-1-4-10(7-9)13-8-11-5-2-6-16-11/h1-7,13H,8H2,(H,14,15) |
| InChIKey | NLPALFQBTRMEPX-UHFFFAOYSA-N |
| Mol Weight | 233.28 g/mol |
| Molecular Formula | C12H11NO2S |
| Exact Mass | 233.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCiCa5IzWKI |
|---|---|
| Name | 3-[(2-Thienylmethyl)amino]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.051049770 u |
| Formula | C12H11NO2S |
| InChI | InChI=1S/C12H11NO2S/c14-12(15)9-3-1-4-10(7-9)13-8-11-5-2-6-16-11/h1-7,13H,8H2,(H,14,15) |
| InChIKey | NLPALFQBTRMEPX-UHFFFAOYSA-N |
| Molecular Weight | 233.285 g/mol |
| SMILES | N(C1=CC(C(=O)O)=CC=C1)CC=1SC=CC1 |