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Benzamide, N-[4-(4-methylphenyl)-2-thioxo-1(2H)-pyrimidinyl]-
SpectraBase Compound ID CDSI1QLg5eS
InChI InChI=1S/C18H15N3OS/c1-13-7-9-14(10-8-13)16-11-12-21(18(23)19-16)20-17(22)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,22)
InChIKey MZQCSFMSVTVKIR-UHFFFAOYSA-N
Mol Weight 321.4 g/mol
Molecular Formula C18H15N3OS
Exact Mass 321.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN8Z69kf9nQ
Name Benzamide, N-[4-(4-methylphenyl)-2-thioxo-1(2H)-pyrimidinyl]-
Alternate Name(s) 1-Benzoylamino-4-(p-tolyl)-2-thioxopyrimidine N-(4-(4-methylphenyl)-2-thioxo-1(2H)-pyrimidinyl)benzamide
CAS Registry Number 127251-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3OS
InChI InChI=1S/C18H15N3OS/c1-13-7-9-14(10-8-13)16-11-12-21(18(23)19-16)20-17(22)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,22)
InChIKey MZQCSFMSVTVKIR-UHFFFAOYSA-N
Molecular Weight 321.398 g/mol
SMILES N(N1C(N=C(c2ccc(cc2)C)C=C1)=S)C(=O)c1ccccc1
SPLASH splash10-0pb9-4930000000-d7bc4599560fde3074d7
Source of Spectrum AH-120-753-2
Wiley ID 1320919