| SpectraBase Compound ID | 4XM0DwJp4qR |
|---|---|
| InChI | InChI=1S/C18H20S2/c1-16(12-14-19-17-8-4-2-5-9-17)13-15-20-18-10-6-3-7-11-18/h2-11H,1,12-15H2 |
| InChIKey | VUYGFCNDNCAYOK-UHFFFAOYSA-N |
| Mol Weight | 300.48 g/mol |
| Molecular Formula | C18H20S2 |
| Exact Mass | 300.100643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | En3WNjpX7ba |
|---|---|
| Name | 4-Phenylsulfanyl-2-(2-phenylsulfanylethyl)but-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.100642992 u |
| Formula | C18H20S2 |
| InChI | InChI=1S/C18H20S2/c1-16(12-14-19-17-8-4-2-5-9-17)13-15-20-18-10-6-3-7-11-18/h2-11H,1,12-15H2 |
| InChIKey | VUYGFCNDNCAYOK-UHFFFAOYSA-N |
| SMILES | C=C(CCSC=1C=CC=CC1)CCSC=1C=CC=CC1 |