| SpectraBase Compound ID | EsSoxSsmRCj |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-14-8-5-9-15-10-12(13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3 |
| InChIKey | NNTBPXPNUXABSW-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tRrNKyCTiI |
|---|---|
| Name | .alpha.-(3-Methoxypropylthio)acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-14-8-5-9-15-10-12(13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3 |
| InChIKey | NNTBPXPNUXABSW-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)CSCCCOC |