![N-[2-(4-Methylphenylthio)ethyl]propionamide](/api/spectrum/7ToFHaTOB2I/structure.png?h=300&w=458 "N-[2-(4-Methylphenylthio)ethyl]propionamide")
| SpectraBase Compound ID | CbwApnARbbR |
|---|---|
| InChI | InChI=1S/C12H17NOS/c1-3-12(14)13-8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14) |
| InChIKey | PGQPABUDWJJDLT-UHFFFAOYSA-N |
| Mol Weight | 223.33 g/mol |
| Molecular Formula | C12H17NOS |
| Exact Mass | 223.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ToFHaTOB2I |
|---|---|
| Name | N-[2-(4-Methylphenylthio)ethyl]propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.103085344 u |
| Formula | C12H17NOS |
| InChI | InChI=1S/C12H17NOS/c1-3-12(14)13-8-9-15-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14) |
| InChIKey | PGQPABUDWJJDLT-UHFFFAOYSA-N |
| Molecular Weight | 223.334 g/mol |
| SMILES | C1=C(C=CC(=C1)SCCNC(CC)=O)C |