| SpectraBase Compound ID | HwL1B11Q5FI |
|---|---|
| InChI | InChI=1S/C10H9ClOS2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6,13H,1H3/b10-6+ |
| InChIKey | JJPJUVTVQDNAEQ-UXBLZVDNSA-N |
| Mol Weight | 244.75 g/mol |
| Molecular Formula | C10H9ClOS2 |
| Exact Mass | 243.978335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hd2m35WEC7 |
|---|---|
| Name | Propenone, 1-(4-chlorophenyl)-3-mercapto-3-methylthio- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.978334957 u |
| Formula | C10H9ClOS2 |
| InChI | InChI=1S/C10H9ClOS2/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6,13H,1H3/b10-6+ |
| InChIKey | JJPJUVTVQDNAEQ-UXBLZVDNSA-N |
| Molecular Weight | 244.754 g/mol |
| SMILES | C(\C=C/(S)SC)(C1=CC=C(C=C1)Cl)=O |