| SpectraBase Compound ID | G16QpOSRNuh |
|---|---|
| InChI | InChI=1S/C18H29NOS/c1-3-5-6-7-11-15-19(14-4-2)18(20)16-21-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3 |
| InChIKey | LJRDFBBAASPYSN-UHFFFAOYSA-N |
| Mol Weight | 307.5 g/mol |
| Molecular Formula | C18H29NOS |
| Exact Mass | 307.196986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1vJ3ONWxJs |
|---|---|
| Name | Acetamide, 2-phenylthio-N-propyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.196985731 u |
| Formula | C18H29NOS |
| InChI | InChI=1S/C18H29NOS/c1-3-5-6-7-11-15-19(14-4-2)18(20)16-21-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3 |
| InChIKey | LJRDFBBAASPYSN-UHFFFAOYSA-N |
| Molecular Weight | 307.496 g/mol |
| SMILES | C(C(N(CCCCCCC)CCC)=O)SC1=CC=CC=C1 |