![[(E)-3-[[(E)-3-phenylprop-2-enyl]disulfanyl]prop-1-enyl]benzene](/api/spectrum/5nSOE3QjENj/structure.png?h=300&w=458 "[(E)-3-[[(E)-3-phenylprop-2-enyl]disulfanyl]prop-1-enyl]benzene")
| SpectraBase Compound ID | B0RRoTKrtHb |
|---|---|
| InChI | InChI=1S/C18H18S2/c1-3-9-17(10-4-1)13-7-15-19-20-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2/b13-7+,14-8+ |
| InChIKey | QZKXQOYWPIXKKL-FNCQTZNRSA-N |
| Mol Weight | 298.46 g/mol |
| Molecular Formula | C18H18S2 |
| Exact Mass | 298.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5nSOE3QjENj |
|---|---|
| Name | [(E)-3-[[(E)-3-phenylprop-2-enyl]disulfanyl]prop-1-enyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084992928 u |
| Formula | C18H18S2 |
| InChI | InChI=1S/C18H18S2/c1-3-9-17(10-4-1)13-7-15-19-20-16-8-14-18-11-5-2-6-12-18/h1-14H,15-16H2/b13-7+,14-8+ |
| InChIKey | QZKXQOYWPIXKKL-FNCQTZNRSA-N |
| Molecular Weight | 298.462 g/mol |
| SMILES | C(\C=C\C=1C=CC=CC1)SSC\C=C\C=1C=CC=CC1 |