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2-(Benzylthio)-2,2-dichloroacetonitrile
SpectraBase Compound ID 2lV4XfYL5o5
InChI InChI=1S/C9H7Cl2NS/c10-9(11,7-12)13-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey PYYDHGAXJRWHKZ-UHFFFAOYSA-N
Mol Weight 232.13 g/mol
Molecular Formula C9H7Cl2NS
Exact Mass 230.967626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7X1jv17X9FD
Name 2-(Benzylthio)-2,2-dichloroacetonitrile
Alternate Name(s) (Benzylsulfanyl)(dichloro)acetonitrile 2,2-Dichloro-2-(phenylmethylthio)acetonitrile 2-Benzylsulfanyl-2,2-dichloroacetonitrile 2-Benzylsulfanyl-2,2-dichloro-acetonitrile 2,2-bis(chloranyl)-2-(phenylmethylsulfanyl)ethanenitrile
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Formula C9H7Cl2NS
InChI InChI=1S/C9H7Cl2NS/c10-9(11,7-12)13-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey PYYDHGAXJRWHKZ-UHFFFAOYSA-N
Molecular Weight 232.128 g/mol
SMILES C(C#N)(SCc1ccccc1)(Cl)Cl
SPLASH splash10-0006-9000000000-46e4642e75a732250b06
Source of Spectrum F-53-12571-2
Wiley ID 803575