![4-[(E)-2-(4-tert-butylsulfanylphenyl)vinyl]benzaldehyde](/api/spectrum/Gj6Mb2jc4zS/structure.png?h=300&w=458 "4-[(E)-2-(4-tert-butylsulfanylphenyl)vinyl]benzaldehyde")
| SpectraBase Compound ID | 6DEut3SxUtp |
|---|---|
| InChI | InChI=1S/C19H20OS/c1-19(2,3)21-18-12-10-16(11-13-18)5-4-15-6-8-17(14-20)9-7-15/h4-14H,1-3H3/b5-4+ |
| InChIKey | PKGKCHGTLKXXMF-SNAWJCMRSA-N |
| Mol Weight | 296.43 g/mol |
| Molecular Formula | C19H20OS |
| Exact Mass | 296.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gj6Mb2jc4zS |
|---|---|
| Name | 4-[(E)-2-(4-Tert-butylsulfanylphenyl)vinyl]benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.123486437 u |
| Formula | C19H20OS |
| InChI | InChI=1S/C19H20OS/c1-19(2,3)21-18-12-10-16(11-13-18)5-4-15-6-8-17(14-20)9-7-15/h4-14H,1-3H3/b5-4+ |
| InChIKey | PKGKCHGTLKXXMF-SNAWJCMRSA-N |
| SMILES | C=1(\C=C\C2=CC=C(C=O)C=C2)C=CC(SC(C)(C)C)=CC1 |