| SpectraBase Compound ID | J3FFC3oSvwO |
|---|---|
| InChI | InChI=1S/C18H29NOS/c1-13(2)19(14(3)4)18(20)15(5)12-16(6)21-17-10-8-7-9-11-17/h7-11,13-16H,12H2,1-6H3 |
| InChIKey | PSYXHVIHZYIUBX-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 | JsVKOWV5XU5 |
|---|---|
| Name | Pentanamide, 2-methyl-N,N-bis(1-methylethyl)-4-(phenylthio)-, (R*,S*)- |
| 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/c1-13(2)19(14(3)4)18(20)15(5)12-16(6)21-17-10-8-7-9-11-17/h7-11,13-16H,12H2,1-6H3 |
| InChIKey | PSYXHVIHZYIUBX-UHFFFAOYSA-N |
| Molecular Weight | 307.496 g/mol |
| SMILES | C(N(C(C)C)C(C)C)(C(CC(SC1=CC=CC=C1)C)C)=O |