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3,4-dihydro-6-methyl-2-phenyl-4-thioxo-5-pyrimidinecarbonitrile

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3,4-dihydro-6-methyl-2-phenyl-4-thioxo-5-pyrimidinecarbonitrile
SpectraBase Compound ID 8EOGhINNPsD
InChI InChI=1S/C12H9N3S/c1-8-10(7-13)12(16)15-11(14-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,15,16)
InChIKey JYWHUODACZSDNL-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C12H9N3S
Exact Mass 227.051718 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID VVbV1pGItf
Name 3,4-DIHYDRO-6-METHYL-2-PHENYL-4-THIOXO-5-PYRIMIDINECARBONITRILE
Source of Sample T. Yamamoto, Josai University, Saitama, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3S
InChI InChI=1S/C12H9N3S/c1-8-10(7-13)12(16)15-11(14-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,15,16)
InChIKey JYWHUODACZSDNL-UHFFFAOYSA-N
Literature Reference J. CHEM. RESEARCH 1982, 2816 Abstract-Chemical Abstracts= 98, 53820X(1983)
Melting Point 230-231C
Molecular Weight 227.285004
Synonyms 5-PYRIMIDINECARBONITRILE, 3,4-DI- HYDRO-6-METHYL-2-PHENYL-4-THIOXO-,
Technique KBr WAFER