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3-Pyridinecarbonitrile, 2-[[(4-bromophenyl)methyl]thio]-4,6-dimethyl-
SpectraBase Compound ID JtP96Anxr99
InChI InChI=1S/C15H13BrN2S/c1-10-7-11(2)18-15(14(10)8-17)19-9-12-3-5-13(16)6-4-12/h3-7H,9H2,1-2H3
InChIKey AULAUTWMVZMYJL-UHFFFAOYSA-N
Mol Weight 333.25 g/mol
Molecular Formula C15H13BrN2S
Exact Mass 331.998283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j2Jpk0XLDl
Name 3-Pyridinecarbonitrile, 2-[[(4-bromophenyl)methyl]thio]-4,6-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13BrN2S
InChI InChI=1S/C15H13BrN2S/c1-10-7-11(2)18-15(14(10)8-17)19-9-12-3-5-13(16)6-4-12/h3-7H,9H2,1-2H3
InChIKey AULAUTWMVZMYJL-UHFFFAOYSA-N
Molecular Weight 333.247 g/mol
SMILES c1(c(nc(cc1C)C)SCc1ccc(Br)cc1)C#N
SPLASH splash10-0089-2549000000-4a577c7dd437d9547b92
Source of Spectrum IY-2-4826-3
Synonyms 2-[(4-bromophenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile 2-[(4-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile 2-[(4-bromophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile
Wiley ID 1656246