| SpectraBase Compound ID | 2mRhrlUfdMM |
|---|---|
| InChI | InChI=1S/C17H18O2S/c1-13(18)19-16(14-9-5-3-6-10-14)17(20-2)15-11-7-4-8-12-15/h3-12,16-17H,1-2H3 |
| InChIKey | KRQGWHCJUBLMHR-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C17H18O2S |
| Exact Mass | 286.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AyJXm6vllH7 |
|---|---|
| Name | Erythro-1,2-diphenyl-1-methylthio-2-acetoxyethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.102750992 u |
| Formula | C17H18O2S |
| InChI | InChI=1S/C17H18O2S/c1-13(18)19-16(14-9-5-3-6-10-14)17(20-2)15-11-7-4-8-12-15/h3-12,16-17H,1-2H3 |
| InChIKey | KRQGWHCJUBLMHR-UHFFFAOYSA-N |
| SMILES | C(C(C=1C=CC=CC1)SC)(OC(=O)C)C=1C=CC=CC1 |