| SpectraBase Compound ID | K2YkzoksTw6 |
|---|---|
| InChI | InChI=1S/C17H17ClS2/c18-16-7-9-17(10-8-16)20-13-4-12-19-14-11-15-5-2-1-3-6-15/h1-3,5-11,14H,4,12-13H2/b14-11+ |
| InChIKey | NMSHMXQDWYSXFU-SDNWHVSQSA-N |
| Mol Weight | 320.9 g/mol |
| Molecular Formula | C17H17ClS2 |
| Exact Mass | 320.046021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ID1f7GleeK2 |
|---|---|
| Name | (4-Chlorophenyl)(3-(styrylthio)propyl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.046020595 u |
| Formula | C17H17ClS2 |
| InChI | InChI=1S/C17H17ClS2/c18-16-7-9-17(10-8-16)20-13-4-12-19-14-11-15-5-2-1-3-6-15/h1-3,5-11,14H,4,12-13H2/b14-11+ |
| InChIKey | NMSHMXQDWYSXFU-SDNWHVSQSA-N |
| Molecular Weight | 320.896 g/mol |
| SMILES | C=1C=C(\C=C\SCCCSC2=CC=C(C=C2)Cl)C=CC1 |