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4-(methylthio)-2,6-diphenyl-5-pyrimidinecarbonitrile
SpectraBase Compound ID 9rnGL9iRq6C
InChI InChI=1S/C18H13N3S/c1-22-18-15(12-19)16(13-8-4-2-5-9-13)20-17(21-18)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey VXCBDUCODNOKQW-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C18H13N3S
Exact Mass 303.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM1M6gORxEg
Name 4-(methylthio)-2,6-diphenyl-5-pyrimidinecarbonitrile
Alternate Name(s) 4-(methylthio)-2,6-diphenyl-pyrimidine-5-carbonitrile 4-Methylsulfanyl-2,6-diphenyl-pyrimidine-5-carbonitrile
CAS Registry Number 68364-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3S
InChI InChI=1S/C18H13N3S/c1-22-18-15(12-19)16(13-8-4-2-5-9-13)20-17(21-18)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey VXCBDUCODNOKQW-UHFFFAOYSA-N
Molecular Weight 303.383 g/mol
SMILES c1(c(nc(nc1SC)-c1ccccc1)-c1ccccc1)C#N
SPLASH splash10-0006-0190000000-ddeb708581cf74135948
Source of Spectrum Y-22-51-5
Wiley ID 1305694