| SpectraBase Compound ID | 2iMAiu8q8oS |
|---|---|
| InChI | InChI=1S/C16H23NOS/c1-3-5-9-13-17(12-4-2)16(18)14-19-15-10-7-6-8-11-15/h4,6-8,10-11H,2-3,5,9,12-14H2,1H3 |
| InChIKey | APOJIEVNMXAUFL-UHFFFAOYSA-N |
| Mol Weight | 277.43 g/mol |
| Molecular Formula | C16H23NOS |
| Exact Mass | 277.150036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C389lCeTiAo |
|---|---|
| Name | Acetamide, N-allyl-N-pentyl-2-(phenylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.150035538 u |
| Formula | C16H23NOS |
| InChI | InChI=1S/C16H23NOS/c1-3-5-9-13-17(12-4-2)16(18)14-19-15-10-7-6-8-11-15/h4,6-8,10-11H,2-3,5,9,12-14H2,1H3 |
| InChIKey | APOJIEVNMXAUFL-UHFFFAOYSA-N |
| SMILES | C(N(CCCCC)CC=C)(=O)CSC1=CC=CC=C1 |