| SpectraBase Compound ID | 6F2MBg5eGyF |
|---|---|
| InChI | InChI=1S/C16H24O2S/c1-14(17)18-13-9-5-8-12-16(2,3)19-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3 |
| InChIKey | HGNWTZGEFMLGKL-UHFFFAOYSA-N |
| Mol Weight | 280.43 g/mol |
| Molecular Formula | C16H24O2S |
| Exact Mass | 280.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IjrM319zsl |
|---|---|
| Name | 6-Methyl-6-(phenylthio)heptyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.149701185 u |
| Formula | C16H24O2S |
| InChI | InChI=1S/C16H24O2S/c1-14(17)18-13-9-5-8-12-16(2,3)19-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3 |
| InChIKey | HGNWTZGEFMLGKL-UHFFFAOYSA-N |
| SMILES | C(SC1=CC=CC=C1)(C)(C)CCCCCOC(C)=O |