| SpectraBase Compound ID | LOAiTXrM0sw |
|---|---|
| InChI | InChI=1S/C16H27NOS/c1-3-5-6-7-8-12-17(11-4-2)16(18)14-15-10-9-13-19-15/h9-10,13H,3-8,11-12,14H2,1-2H3 |
| InChIKey | WZWIBQCGEQOMRI-UHFFFAOYSA-N |
| Mol Weight | 281.46 g/mol |
| Molecular Formula | C16H27NOS |
| Exact Mass | 281.181336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVgdafwuTFz |
|---|---|
| Name | Acetamide, 2-thiophenyl-N-propyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.181335666 u |
| Formula | C16H27NOS |
| InChI | InChI=1S/C16H27NOS/c1-3-5-6-7-8-12-17(11-4-2)16(18)14-15-10-9-13-19-15/h9-10,13H,3-8,11-12,14H2,1-2H3 |
| InChIKey | WZWIBQCGEQOMRI-UHFFFAOYSA-N |
| Molecular Weight | 281.458 g/mol |
| SMILES | C(=O)(N(CCC)CCCCCCC)CC=1SC=CC1 |