![2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate](/api/spectrum/GCjkwR4PnLn/structure.png?h=300&w=458 "2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate")
| SpectraBase Compound ID | 6dJ7UZppxUB |
|---|---|
| InChI | InChI=1S/C18H16O4S/c1-15-9-11-17(12-10-15)23(20,21)14-6-5-13-22-18(19)16-7-3-2-4-8-16/h2-5,7-12,14H,13H2,1H3 |
| InChIKey | JKAQDNQEDCEUIK-UHFFFAOYSA-N |
| Mol Weight | 328.38 g/mol |
| Molecular Formula | C18H16O4S |
| Exact Mass | 328.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCjkwR4PnLn |
|---|---|
| Name | 2,3-Butadien-1-ol, 4-[(4-methylphenyl)sulfonyl]-, benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.076930165 u |
| Formula | C18H16O4S |
| InChI | InChI=1S/C18H16O4S/c1-15-9-11-17(12-10-15)23(20,21)14-6-5-13-22-18(19)16-7-3-2-4-8-16/h2-5,7-12,14H,13H2,1H3 |
| InChIKey | JKAQDNQEDCEUIK-UHFFFAOYSA-N |
| Molecular Weight | 328.382 g/mol |
| SMILES | C(S(C1=CC=C(C=C1)C)(=O)=O)=C=CCOC(=O)C=1C=CC=CC1 |