| SpectraBase Compound ID | HYWdjG6rfh7 |
|---|---|
| InChI | InChI=1S/C16H19NOS2/c1-16(2,3)12-8-6-11(7-9-12)14(18)13(10-17)15(19-4)20-5/h6-9H,1-5H3 |
| InChIKey | ZDOZIGPXTNROIU-UHFFFAOYSA-N |
| Mol Weight | 305.45 g/mol |
| Molecular Formula | C16H19NOS2 |
| Exact Mass | 305.090807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLLNt82RJuH |
|---|---|
| Name | Propennitrile, 2-(4-tert-butylbenzoyl)-3,3-di(methylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.090806583 u |
| Formula | C16H19NOS2 |
| InChI | InChI=1S/C16H19NOS2/c1-16(2,3)12-8-6-11(7-9-12)14(18)13(10-17)15(19-4)20-5/h6-9H,1-5H3 |
| InChIKey | ZDOZIGPXTNROIU-UHFFFAOYSA-N |
| Molecular Weight | 305.454 g/mol |
| SMILES | C(C(C=1C=CC(C(C)(C)C)=CC1)=O)(=C(SC)SC)C#N |