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(1',3'-Dithian-2'-ylidene)(phenylsulfinyl)acrylonitrile
SpectraBase Compound ID 7wEQmZE2RfW
InChI InChI=1S/C12H11NOS3/c13-9-11(12-15-7-4-8-16-12)17(14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey RGTKZKTYMQJCCE-UHFFFAOYSA-N
Mol Weight 281.41 g/mol
Molecular Formula C12H11NOS3
Exact Mass 281.000277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aDIMT5IAhr
Name (1',3'-Dithian-2'-ylidene)(phenylsulfinyl)acrylonitrile
Alternate Name(s) 1,3-dithian-2-ylidene(phenylsulfinyl)acetonitrile
CAS Registry Number 139427-32-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H11NOS3
InChI InChI=1S/C12H11NOS3/c13-9-11(12-15-7-4-8-16-12)17(14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey RGTKZKTYMQJCCE-UHFFFAOYSA-N
Molecular Weight 281.406 g/mol
SMILES C(S(=O)c1ccccc1)(=C1SCCCS1)C#N
SPLASH splash10-014i-0940000000-320c2b6a0b5bfda0e25d
Source of Spectrum U-1992-397-4
Wiley ID 764191