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2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
SpectraBase Compound ID 4AENScA7B6t
InChI InChI=1S/C16H13N3S/c1-11-7-12(2)19-16(15(11)9-18)20-10-14-6-4-3-5-13(14)8-17/h3-7H,10H2,1-2H3
InChIKey NHVWLUSKXQFCLF-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C16H13N3S
Exact Mass 279.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZzWl3TcWcQ
Name 2-[(2-Cyanobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
Alternate Name(s) 2-[(2-cyanobenzyl)thio]-4,6-dimethyl-nicotinonitrile 2-[(2-cyanophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile 2-[(2-cyanophenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile Pyridine-3-carbonitrile, 2-(2-cyanobenzyl)thio-4,6-dimethyl-
CAS Registry Number 314764-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c1-11-7-12(2)19-16(15(11)9-18)20-10-14-6-4-3-5-13(14)8-17/h3-7H,10H2,1-2H3
InChIKey NHVWLUSKXQFCLF-UHFFFAOYSA-N
Molecular Weight 279.361 g/mol
SMILES Cc1cc(c(c(n1)SCc1c(cccc1)C#N)C#N)C
SPLASH splash10-004i-6970000000-3f6a510bad1129757c06
Source of Spectrum AD-0-2532-0
Wiley ID 1425238