![3-[3-(p-Methoxyphenyl)-2-thioureido]propionic acid](/api/spectrum/Ca4mOltMbpd/structure.png?h=300&w=458 "3-[3-(p-Methoxyphenyl)-2-thioureido]propionic acid")
| SpectraBase Compound ID | lgholWyFld |
|---|---|
| InChI | InChI=1S/C11H14N2O3S/c1-16-9-4-2-8(3-5-9)13-11(17)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,17) |
| InChIKey | AKTHINTURVGEBE-UHFFFAOYSA-N |
| Mol Weight | 254.3 g/mol |
| Molecular Formula | C11H14N2O3S |
| Exact Mass | 254.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ca4mOltMbpd |
|---|---|
| Name | 3-[3-(p-Methoxyphenyl)-2-thioureido]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.072513490 u |
| Formula | C11H14N2O3S |
| InChI | InChI=1S/C11H14N2O3S/c1-16-9-4-2-8(3-5-9)13-11(17)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,17) |
| InChIKey | AKTHINTURVGEBE-UHFFFAOYSA-N |
| Molecular Weight | 254.304 g/mol |
| SMILES | N(C1=CC=C(C=C1)OC)C(NCCC(O)=O)=S |