| SpectraBase Compound ID | Cd9CCH44t6A |
|---|---|
| InChI | InChI=1S/C18H20OS2/c1-19-17-8-10-18(11-9-17)21-14-5-13-20-15-12-16-6-3-2-4-7-16/h2-4,6-12,15H,5,13-14H2,1H3/b15-12+ |
| InChIKey | ZVEDQEJXYFSPSS-NTCAYCPXSA-N |
| Mol Weight | 316.48 g/mol |
| Molecular Formula | C18H20OS2 |
| Exact Mass | 316.095558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9U9FeUeDjLr |
|---|---|
| Name | (4-Methoxyphenyl)(3-(styrylthio)propyl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.095557611 u |
| Formula | C18H20OS2 |
| InChI | InChI=1S/C18H20OS2/c1-19-17-8-10-18(11-9-17)21-14-5-13-20-15-12-16-6-3-2-4-7-16/h2-4,6-12,15H,5,13-14H2,1H3/b15-12+ |
| InChIKey | ZVEDQEJXYFSPSS-NTCAYCPXSA-N |
| Molecular Weight | 316.477 g/mol |
| SMILES | C=1C=C(\C=C\SCCCSC2=CC=C(C=C2)OC)C=CC1 |