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5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl-
SpectraBase Compound ID 9mC3l3bOgmc
InChI InChI=1S/C12H9N3O2S/c1-18(16,17)12-14-8-10(7-13)11(15-12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey ZVLRNLARLDRPFC-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C12H9N3O2S
Exact Mass 259.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo2qLUYs1z9
Name 5-Pyrimidinecarbonitrile, 2-(methylsulfonyl)-4-phenyl-
Alternate Name(s) 2-Methylsulfonyl-4-phenyl-5-pyrimidinecarbonitrile 2-Methylsulfonyl-4-phenylpyrimidine-5-carbonitrile 2-Methylsulfonyl-4-phenyl-pyrimidine-5-carbonitrile
CAS Registry Number 89079-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S
InChI InChI=1S/C12H9N3O2S/c1-18(16,17)12-14-8-10(7-13)11(15-12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey ZVLRNLARLDRPFC-UHFFFAOYSA-N
Molecular Weight 259.283 g/mol
SMILES c1(S(=O)(=O)C)nc(-c2ccccc2)c(cn1)C#N
SPLASH splash10-057i-1930000000-7389d0d136782d795047
Source of Spectrum SB-37-615-0
Wiley ID 1262533