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Butanenitrile, 2-(dihydro-5-methyl-4-oxo-6-phenyl-4H-1,3,5-dithiazin-2-ylidene)-3,3- dimethyl-
SpectraBase Compound ID GTyBiOcKurt
InChI InChI=1S/C16H18N2OS2/c1-16(2,3)12(10-17)14-20-13(18(4)15(19)21-14)11-8-6-5-7-9-11/h5-9,13H,1-4H3/b14-12+
InChIKey JSPGDZYJRNGLEO-WYMLVPIESA-N
Mol Weight 318.45 g/mol
Molecular Formula C16H18N2OS2
Exact Mass 318.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ky77mIzEj8
Name Butanenitrile, 2-(dihydro-5-methyl-4-oxo-6-phenyl-4H-1,3,5-dithiazin-2-ylidene)-3,3- dimethyl-
Alternate Name(s) (2Z)-3,3-dimethyl-2-(5-methyl-4-oxo-6-phenyldihydro-4H-1,3,5-dithiazin-2-ylidene)butanenitrile 2-(5,6-Dihydro-5-methyl-4-oxo-6-phenyl-4H-1,3,5-dithiazin-2-ylidene)-3,3-dimethylbutyronitrile 4H-1,3,5-dithiazine, butanenitrile deriv.
CAS Registry Number 91529-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2OS2
InChI InChI=1S/C16H18N2OS2/c1-16(2,3)12(10-17)14-20-13(18(4)15(19)21-14)11-8-6-5-7-9-11/h5-9,13H,1-4H3/b14-12+
InChIKey JSPGDZYJRNGLEO-WYMLVPIESA-N
Molecular Weight 318.453 g/mol
SMILES C1(S\C(SC(N1C)c1ccccc1)=C/(C#N)C(C)(C)C)=O
SPLASH splash10-014i-0910000000-713d31b685ae09fd5809
Source of Spectrum K-117-2219-4
Wiley ID 1318283