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2-(N-Benzyl)amino-4-chloro-3,3-dimethyl-butanenitrile
SpectraBase Compound ID GejDju1tHd7
InChI InChI=1S/C13H17ClN2/c1-13(2,10-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-7,12,16H,9-10H2,1-2H3
InChIKey XPABVZMYIGJJMS-UHFFFAOYSA-N
Mol Weight 236.75 g/mol
Molecular Formula C13H17ClN2
Exact Mass 236.108026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TGKqH4qnC0
Name 2-(benzylamino)-4-chloro-3,3-dimethyl-butanenitrile
Alternate Name(s) 2-(benzylamino)-4-chloro-3,3-dimethyl-butyronitrile 4-Chloranyl-3,3-dimethyl-2-[(phenylmethyl)amino]butanenitrile 4-Chloro-3,3-dimethyl-2-[(phenylmethyl)amino]butanenitrile
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Formula C13H17ClN2
InChI InChI=1S/C13H17ClN2/c1-13(2,10-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-7,12,16H,9-10H2,1-2H3
InChIKey XPABVZMYIGJJMS-UHFFFAOYSA-N
Molecular Weight 236.746 g/mol
SMILES N(C(C(CCl)(C)C)C#N)Cc1ccccc1
SPLASH splash10-0006-9200000000-f53e539429526d51e381
Source of Spectrum F-47-4732-7
Wiley ID 1238157