![4-[({[(2-furylmethyl)amino]carbothioyl}amino)methyl]benzoic acid](/api/spectrum/2iNj90Lyl8J/structure.png?h=300&w=458 "4-[({[(2-furylmethyl)amino]carbothioyl}amino)methyl]benzoic acid")
| SpectraBase Compound ID | JsXTjA0Ztfg |
|---|---|
| InChI | InChI=1S/C14H14N2O3S/c17-13(18)11-5-3-10(4-6-11)8-15-14(20)16-9-12-2-1-7-19-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,20) |
| InChIKey | LQVIUQSFGAYZCC-UHFFFAOYSA-N |
| Mol Weight | 290.34 g/mol |
| Molecular Formula | C14H14N2O3S |
| Exact Mass | 290.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iNj90Lyl8J |
|---|---|
| Name | 4-[({[(2-furylmethyl)amino]carbothioyl}amino)methyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.072513490 u |
| Formula | C14H14N2O3S |
| InChI | InChI=1S/C14H14N2O3S/c17-13(18)11-5-3-10(4-6-11)8-15-14(20)16-9-12-2-1-7-19-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,20) |
| InChIKey | LQVIUQSFGAYZCC-UHFFFAOYSA-N |
| SMILES | N(CC1=CC=C(C(=O)O)C=C1)C(=S)NCC=1OC=CC1 |