| SpectraBase Compound ID | 3YLW0ykIgny |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-9(2)12-11(13-12)8-14-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3 |
| InChIKey | GIPQDZBJQMBJHR-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDCLwrULiX0 |
|---|---|
| Name | 2,3-Epoxy-4-methyl-1-phenylthiopentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-9(2)12-11(13-12)8-14-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3 |
| InChIKey | GIPQDZBJQMBJHR-UHFFFAOYSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C1(OC1C(C)C)CSC=1C=CC=CC1 |