| SpectraBase Compound ID | IbwT5D3RZlb |
|---|---|
| InChI | InChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14) |
| InChIKey | SCRQWWZKADOQLP-UHFFFAOYSA-N |
| Mol Weight | 239.33 g/mol |
| Molecular Formula | C12H17NO2S |
| Exact Mass | 239.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqvUuo60pYT |
|---|---|
| Name | N-(3-Methoxypropyl)-2-(phenylsulfanyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.097999963 u |
| Formula | C12H17NO2S |
| InChI | InChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14) |
| InChIKey | SCRQWWZKADOQLP-UHFFFAOYSA-N |
| Molecular Weight | 239.333 g/mol |
| SMILES | C(SC1=CC=CC=C1)C(=O)NCCCOC |