| SpectraBase Compound ID | 5cBolIwMGMi |
|---|---|
| InChI | InChI=1S/C13H8Cl2O2S/c14-10-4-1-5-11(15)13(10)17-12(16)7-6-9-3-2-8-18-9/h1-8H/b7-6+ |
| InChIKey | ZCYDOMNKDWYUPH-VOTSOKGWSA-N |
| Mol Weight | 299.17 g/mol |
| Molecular Formula | C13H8Cl2O2S |
| Exact Mass | 297.962206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1D8WqDktN2S |
|---|---|
| Name | Propenoic acid, 3-(2-thienyl)-, 2,6-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.962206070 u |
| Formula | C13H8Cl2O2S |
| InChI | InChI=1S/C13H8Cl2O2S/c14-10-4-1-5-11(15)13(10)17-12(16)7-6-9-3-2-8-18-9/h1-8H/b7-6+ |
| InChIKey | ZCYDOMNKDWYUPH-VOTSOKGWSA-N |
| Molecular Weight | 299.171 g/mol |
| SMILES | C1(OC(\C=C\C=2SC=CC2)=O)=C(C=CC=C1Cl)Cl |