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2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-1-(4-nitrophenyl)ethanone
SpectraBase Compound ID 2yCOZvTvJH0
InChI InChI=1S/C14H13N3O3S/c1-9-7-10(2)16-14(15-9)21-8-13(18)11-3-5-12(6-4-11)17(19)20/h3-7H,8H2,1-2H3
InChIKey WEIRZXXYWLOSMA-UHFFFAOYSA-N
Mol Weight 303.34 g/mol
Molecular Formula C14H13N3O3S
Exact Mass 303.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ruOcMs8Qcj
Name 2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-1-(4-nitrophenyl)ethanone
CAS Registry Number 325852-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O3S
InChI InChI=1S/C14H13N3O3S/c1-9-7-10(2)16-14(15-9)21-8-13(18)11-3-5-12(6-4-11)17(19)20/h3-7H,8H2,1-2H3
InChIKey WEIRZXXYWLOSMA-UHFFFAOYSA-N
Molecular Weight 303.336 g/mol
SMILES Cc1nc(SCC(c2ccc(N(=O)=O)cc2)=O)nc(C)c1
SPLASH splash10-0udi-8910000000-50b603e709f07b17b890
Source of Spectrum AD-0-2532-0
Synonyms 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-nitrophenyl)ethanone 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-nitrophenyl)ethanone Ethanone, 2-(4,6-dimethyl-2-pyrimidylthio)-1-(4-nitrophenyl)-
Wiley ID 1421548