![2-[(o-(Chlorophenoxy)methyl]-4-thiazolecarboxylic acid, ethyl ester](/api/spectrum/LtZ1WBFPG2I/structure.png?h=300&w=458 "2-[(o-(Chlorophenoxy)methyl]-4-thiazolecarboxylic acid, ethyl ester")
| SpectraBase Compound ID | HEy0EAJc3qg |
|---|---|
| InChI | InChI=1S/C13H12ClNO3S/c1-2-17-13(16)10-8-19-12(15-10)7-18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3 |
| InChIKey | IOTLOUSUXAJYDX-UHFFFAOYSA-N |
| Mol Weight | 297.76 g/mol |
| Molecular Formula | C13H12ClNO3S |
| Exact Mass | 297.022642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LtZ1WBFPG2I |
|---|---|
| Name | 2-[(o-(Chlorophenoxy)methyl]-4-thiazolecarboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.022642121 u |
| Formula | C13H12ClNO3S |
| InChI | InChI=1S/C13H12ClNO3S/c1-2-17-13(16)10-8-19-12(15-10)7-18-11-6-4-3-5-9(11)14/h3-6,8H,2,7H2,1H3 |
| InChIKey | IOTLOUSUXAJYDX-UHFFFAOYSA-N |
| Molecular Weight | 297.756 g/mol |
| SMILES | C1=C(C(=CC=C1)OCC1=NC(=CS1)C(OCC)=O)Cl |