| SpectraBase Compound ID | jxIpa9m2m1 |
|---|---|
| InChI | InChI=1S/C13H17NO2S/c1-10(2)14(12-7-5-4-6-8-12)13(16)9-17-11(3)15/h4-8,10H,9H2,1-3H3 |
| InChIKey | LQGXKHUPUPQWLN-UHFFFAOYSA-N |
| Mol Weight | 251.34 g/mol |
| Molecular Formula | C13H17NO2S |
| Exact Mass | 251.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67Ce30Qwh4T |
|---|---|
| Name | N-Phenyl-N-isopropyl-S-acetylthioacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.097999963 u |
| Formula | C13H17NO2S |
| InChI | InChI=1S/C13H17NO2S/c1-10(2)14(12-7-5-4-6-8-12)13(16)9-17-11(3)15/h4-8,10H,9H2,1-3H3 |
| InChIKey | LQGXKHUPUPQWLN-UHFFFAOYSA-N |
| Molecular Weight | 251.344 g/mol |
| SMILES | C(N(C=1C=CC=CC1)C(C)C)(CSC(=O)C)=O |