| SpectraBase Compound ID | 1qzMjn5Uryf |
|---|---|
| InChI | InChI=1S/C18H30OS/c1-18(2,19)15-11-6-4-3-5-7-12-16-20-17-13-9-8-10-14-17/h8-10,13-14,19H,3-7,11-12,15-16H2,1-2H3 |
| InChIKey | GKEFWZINDZUURE-UHFFFAOYSA-N |
| Mol Weight | 294.5 g/mol |
| Molecular Formula | C18H30OS |
| Exact Mass | 294.201737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dxqkchtdMy |
|---|---|
| Name | 2-Methyl-11-phenylthioundecan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.201736759 u |
| Formula | C18H30OS |
| InChI | InChI=1S/C18H30OS/c1-18(2,19)15-11-6-4-3-5-7-12-16-20-17-13-9-8-10-14-17/h8-10,13-14,19H,3-7,11-12,15-16H2,1-2H3 |
| InChIKey | GKEFWZINDZUURE-UHFFFAOYSA-N |
| SMILES | C(O)(CCCCCCCCCSC1=CC=CC=C1)(C)C |