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5-Cyano-1-methyl-3,6-diphenyl-2-thiouracil
SpectraBase Compound ID GjtHNKvfNUJ
InChI InChI=1S/C18H13N3OS/c1-20-16(13-8-4-2-5-9-13)15(12-19)17(22)21(18(20)23)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey JPGBSHMJVLNDGZ-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r1SpBBUegq
Name 5-Cyano-1-methyl-3,6-diphenyl-2-thiouracil
Alternate Name(s) 1-Methyl-4-oxo-3,6-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c1-20-16(13-8-4-2-5-9-13)15(12-19)17(22)21(18(20)23)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey JPGBSHMJVLNDGZ-UHFFFAOYSA-N
Molecular Weight 319.382 g/mol
SMILES C1(N(C(C(=C(N1C)c1ccccc1)C#N)=O)c1ccccc1)=S
SPLASH splash10-014i-3309000000-0ac5736b321e966fbfe9
Source of Spectrum G-64-1309-4
Wiley ID 749452