SpectraBase Compound ID | Db1p6iunEJ0 |
---|---|
InChI | InChI=1S/C12H12N2OS/c1-16(15,12-7-3-2-4-8-12)14-11-6-5-9-13-10-11/h2-10H,1H3 |
InChIKey | VDHWEJTWTKVGRC-UHFFFAOYSA-N |
Mol Weight | 232.3 g/mol |
Molecular Formula | C12H12N2OS |
Exact Mass | 232.067034 g/mol |
SpectraBase Spectrum ID | AUULkB8HBQN |
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Name | N-(3-Pyridyl)-S-methyl-S-phenylsulfoximine |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 232.067034187 u |
Formula | C12H12N2OS |
InChI | InChI=1S/C12H12N2OS/c1-16(15,12-7-3-2-4-8-12)14-11-6-5-9-13-10-11/h2-10H,1H3 |
InChIKey | VDHWEJTWTKVGRC-UHFFFAOYSA-N |
Molecular Weight | 232.301 g/mol |
SMILES | C1(N=S(C=2C=CC=CC2)(C)=O)=CC=CN=C1 |