| SpectraBase Compound ID | 3KV9QcLftPb |
|---|---|
| InChI | InChI=1S/C13H19NOS/c1-4-11(2)14(3)13(15)10-16-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3 |
| InChIKey | PQMRBRVLKAAWRA-UHFFFAOYSA-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 | 4FbKnASUWAG |
|---|---|
| Name | Acetamide, 2-phenylthio-N-(2-butyl)-N-methyl- |
| 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/c1-4-11(2)14(3)13(15)10-16-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3 |
| InChIKey | PQMRBRVLKAAWRA-UHFFFAOYSA-N |
| Molecular Weight | 237.361 g/mol |
| SMILES | C(N(C)C(CC)C)(=O)CSC1=CC=CC=C1 |