| SpectraBase Compound ID | 6MKn31C4x1U |
|---|---|
| InChI | InChI=1S/C17H25F3S/c1-2-3-4-5-6-10-13-16(21-17(18,19)20)14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3 |
| InChIKey | RQZHTJKLBSVBKK-UHFFFAOYSA-N |
| Mol Weight | 318.44 g/mol |
| Molecular Formula | C17H25F3S |
| Exact Mass | 318.162906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98s21O3s0BD |
|---|---|
| Name | (1-Phenyldecan-2-yl)(trifluoromethyl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.162906468 u |
| Formula | C17H25F3S |
| InChI | InChI=1S/C17H25F3S/c1-2-3-4-5-6-10-13-16(21-17(18,19)20)14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3 |
| InChIKey | RQZHTJKLBSVBKK-UHFFFAOYSA-N |
| Molecular Weight | 318.442 g/mol |
| SMILES | C(SC(F)(F)F)(CCCCCCCC)CC1=CC=CC=C1 |