| SpectraBase Compound ID | FaVLvKb0lb |
|---|---|
| InChI | InChI=1S/C15H16N2O3S/c18-13(8-4-5-9-14(19)20)17-15-16-12(10-21-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,19,20)(H,16,17,18) |
| InChIKey | KBUYUWKKJIQILN-UHFFFAOYSA-N |
| Mol Weight | 304.36 g/mol |
| Molecular Formula | C15H16N2O3S |
| Exact Mass | 304.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fFmovUMKv6 |
|---|---|
| Name | 5-(4-Phenyl-thiazol-2-ylcarbamoyl)-pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.088163554 u |
| Formula | C15H16N2O3S |
| InChI | InChI=1S/C15H16N2O3S/c18-13(8-4-5-9-14(19)20)17-15-16-12(10-21-15)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,19,20)(H,16,17,18) |
| InChIKey | KBUYUWKKJIQILN-UHFFFAOYSA-N |
| Molecular Weight | 304.364 g/mol |
| SMILES | C1(NC(CCCCC(O)=O)=O)=NC(C2=CC=CC=C2)=CS1 |