| SpectraBase Compound ID | KtKHq2iImrm |
|---|---|
| InChI | InChI=1S/C26H38O3S/c1-21(2)19-26(30(28,29)25-15-7-6-8-16-25)20-24(5)14-10-12-22(3)11-9-13-23(4)17-18-27/h6-8,11,14-17,19,26-27H,9-10,12-13,18,20H2,1-5H3/b22-11+,23-17+,24-14+ |
| InChIKey | OXZOTMOPPBYBSV-LMQFBSLASA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C26H38O3S |
| Exact Mass | 430.254166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHGhBA11iSf |
|---|---|
| Name | (E,E,E)-(5-Phenylsulfonylgeranyl)geraniol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.254166255 u |
| Formula | C26H38O3S |
| InChI | InChI=1S/C26H38O3S/c1-21(2)19-26(30(28,29)25-15-7-6-8-16-25)20-24(5)14-10-12-22(3)11-9-13-23(4)17-18-27/h6-8,11,14-17,19,26-27H,9-10,12-13,18,20H2,1-5H3/b22-11+,23-17+,24-14+ |
| InChIKey | OXZOTMOPPBYBSV-LMQFBSLASA-N |
| Molecular Weight | 430.647 g/mol |
| SMILES | C1=CC=CC=C1S(=O)(=O)C(C\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO)C=C(C)C |