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Butanenitrile, 2-(7,11b-dihydro-4-oxo-4H,6H-1,3,5-dithiazino[4,5-a]isoquinolin-2-ylidene)-3,3-dimethyl-
SpectraBase Compound ID Bp5i6mpPlMP
InChI InChI=1S/C17H18N2OS2/c1-17(2,3)13(10-18)15-21-14-12-7-5-4-6-11(12)8-9-19(14)16(20)22-15/h4-7,14H,8-9H2,1-3H3/b15-13-
InChIKey QSQKGSGRRJEDCS-SQFISAMPSA-N
Mol Weight 330.46 g/mol
Molecular Formula C17H18N2OS2
Exact Mass 330.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XSlmr3dMpk
Name Butanenitrile, 2-(7,11b-dihydro-4-oxo-4H,6H-1,3,5-dithiazino[4,5-a]isoquinolin-2-ylidene)-3,3-dimethyl-
CAS Registry Number 91529-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2OS2
InChI InChI=1S/C17H18N2OS2/c1-17(2,3)13(10-18)15-21-14-12-7-5-4-6-11(12)8-9-19(14)16(20)22-15/h4-7,14H,8-9H2,1-3H3/b15-13-
InChIKey QSQKGSGRRJEDCS-SQFISAMPSA-N
Molecular Weight 330.464 g/mol
SMILES C12N(C(S\C(S2)=C/(C#N)C(C)(C)C)=O)CCc2ccccc12
SPLASH splash10-0a59-9600000000-7bac1784d8ede47b1ef9
Source of Spectrum K-117-2220-0
Synonyms (2E)-3,3-dimethyl-2-(4-oxo-7,11b-dihydro-6H-[1,3,5]dithiazino[4,5-a]isoquinolin-2-ylidene)butanenitrile 2-(7,11b-dihydro-4-oxo-6H-[1,3,5]dithiazino[4,5-a]isoquinolin-2-ylidene)-3,3-dimethylbutyronitrile 4H,6H-1,3,5-dithiazino[4,5-a]isoquinoline, butanenitrile deriv.
Wiley ID 1327693