| SpectraBase Compound ID | BWK5fWIpV6Y |
|---|---|
| InChI | InChI=1S/C22H29NOS/c1-2-3-4-5-12-17-23(18-20-13-8-6-9-14-20)22(24)19-25-21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3 |
| InChIKey | MAPTWBQWCXHNSP-UHFFFAOYSA-N |
| Mol Weight | 355.54 g/mol |
| Molecular Formula | C22H29NOS |
| Exact Mass | 355.196986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQRXQ16btFb |
|---|---|
| Name | Acetamide, 2-phenylthio-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.196985731 u |
| Formula | C22H29NOS |
| InChI | InChI=1S/C22H29NOS/c1-2-3-4-5-12-17-23(18-20-13-8-6-9-14-20)22(24)19-25-21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3 |
| InChIKey | MAPTWBQWCXHNSP-UHFFFAOYSA-N |
| Molecular Weight | 355.540 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)CSC1=CC=CC=C1 |