| SpectraBase Compound ID | CJqoMWWFMGL |
|---|---|
| InChI | InChI=1S/C20H33NOS/c1-4-6-7-8-12-16-21(18(3)13-5-2)20(22)17-23-19-14-10-9-11-15-19/h9-11,14-15,18H,4-8,12-13,16-17H2,1-3H3 |
| InChIKey | MXTULOYJMCLMMY-UHFFFAOYSA-N |
| Mol Weight | 335.6 g/mol |
| Molecular Formula | C20H33NOS |
| Exact Mass | 335.228286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZlraGdaVjO |
|---|---|
| Name | Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.228285860 u |
| Formula | C20H33NOS |
| InChI | InChI=1S/C20H33NOS/c1-4-6-7-8-12-16-21(18(3)13-5-2)20(22)17-23-19-14-10-9-11-15-19/h9-11,14-15,18H,4-8,12-13,16-17H2,1-3H3 |
| InChIKey | MXTULOYJMCLMMY-UHFFFAOYSA-N |
| Molecular Weight | 335.550 g/mol |
| SMILES | C(C(=O)N(CCCCCCC)C(CCC)C)SC1=CC=CC=C1 |