| SpectraBase Compound ID | 9XZCUifHrnQ |
|---|---|
| InChI | InChI=1S/C13H19NOS/c1-10(2)13(9-16-11(3)15)14-12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3/t13-/m1/s1 |
| InChIKey | IDDDJTXFKCZHGU-CYBMUJFWSA-N |
| Mol Weight | 237.36 g/mol |
| Molecular Formula | C13H19NOS |
| Exact Mass | 237.118735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyG9DQ6tXSS |
|---|---|
| Name | (S)-N-Phenyl-2-amino-3-methyl-1-thioacetybutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.118735409 u |
| Formula | C13H19NOS |
| InChI | InChI=1S/C13H19NOS/c1-10(2)13(9-16-11(3)15)14-12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3/t13-/m1/s1 |
| InChIKey | IDDDJTXFKCZHGU-CYBMUJFWSA-N |
| Molecular Weight | 237.361 g/mol |
| SMILES | [C@](NC1=CC=CC=C1)(CSC(=O)C)(C(C)C)[H] |