| SpectraBase Compound ID | AeI6xFZDdBQ |
|---|---|
| InChI | InChI=1S/C12H15NO2S/c1-8(2)12(15)16-11-6-4-10(5-7-11)13-9(3)14/h4-8H,1-3H3,(H,13,14) |
| InChIKey | NBJCDHYEGSDDAO-UHFFFAOYSA-N |
| Mol Weight | 237.32 g/mol |
| Molecular Formula | C12H15NO2S |
| Exact Mass | 237.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6q2a5lQy1oV |
|---|---|
| Name | N-Acetyl-4-mercaptoaniline, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.082349899 u |
| Formula | C12H15NO2S |
| InChI | InChI=1S/C12H15NO2S/c1-8(2)12(15)16-11-6-4-10(5-7-11)13-9(3)14/h4-8H,1-3H3,(H,13,14) |
| InChIKey | NBJCDHYEGSDDAO-UHFFFAOYSA-N |
| Molecular Weight | 237.317 g/mol |
| SMILES | C1(SC(C(C)C)=O)=CC=C(C=C1)NC(=O)C |