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5-Cyano-1,3-dimethyl-6-phenyl-2-thiouracil
SpectraBase Compound ID FwQp0LaQ2RX
InChI InChI=1S/C13H11N3OS/c1-15-11(9-6-4-3-5-7-9)10(8-14)12(17)16(2)13(15)18/h3-7H,1-2H3
InChIKey AFUHGKUDVOLYEB-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C13H11N3OS
Exact Mass 257.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZS2TbR2iRi
Name 5-Cyano-1,3-dimethyl-6-phenyl-2-thiouracil
Alternate Name(s) 1,3-Dimethyl-4-oxo-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3OS
InChI InChI=1S/C13H11N3OS/c1-15-11(9-6-4-3-5-7-9)10(8-14)12(17)16(2)13(15)18/h3-7H,1-2H3
InChIKey AFUHGKUDVOLYEB-UHFFFAOYSA-N
Molecular Weight 257.311 g/mol
SMILES C=1(C(N(C)C(N(C1c1ccccc1)C)=S)=O)C#N
SPLASH splash10-0a4i-1390000000-6c58df32cf8ff93275cf
Source of Spectrum H1-48-745-3
Wiley ID 816327