| SpectraBase Compound ID | 2i9jCsDHFr0 |
|---|---|
| InChI | InChI=1S/C17H18OS/c1-3-7-17(19-16-8-5-4-6-9-16)14-10-12-15(18-2)13-11-14/h3-6,8-13,17H,1,7H2,2H3 |
| InChIKey | NITWZBFTDYYQQG-UHFFFAOYSA-N |
| Mol Weight | 270.39 g/mol |
| Molecular Formula | C17H18OS |
| Exact Mass | 270.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bvpwCx0Ttf |
|---|---|
| Name | (1-(4-Methoxyphenyl)but-3-enyl)(phenyl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.107836373 u |
| Formula | C17H18OS |
| InChI | InChI=1S/C17H18OS/c1-3-7-17(19-16-8-5-4-6-9-16)14-10-12-15(18-2)13-11-14/h3-6,8-13,17H,1,7H2,2H3 |
| InChIKey | NITWZBFTDYYQQG-UHFFFAOYSA-N |
| SMILES | C(SC1=CC=CC=C1)(C1=CC=C(C=C1)OC)CC=C |