| SpectraBase Compound ID | C4tnLWz4ZGA |
|---|---|
| InChI | InChI=1S/C12H17NOS/c1-13(2)12(15)9-11(14)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3 |
| InChIKey | VDXNQDPEEXKVHS-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 | GkigIE6paqy |
|---|---|
| Name | N,N-Dimethyl-3-hydroxy-4-phenylbutanethioamide |
| 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/c1-13(2)12(15)9-11(14)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3 |
| InChIKey | VDXNQDPEEXKVHS-UHFFFAOYSA-N |
| Molecular Weight | 223.334 g/mol |
| SMILES | C(CC(CC1=CC=CC=C1)O)(=S)N(C)C |