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1-Ethanone, 1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]-
SpectraBase Compound ID tLEwZB6Ar
InChI InChI=1S/C14H13N3O3S/c1-8-6-9(2)16-14(15-8)21-13-5-4-11(10(3)18)7-12(13)17(19)20/h4-7H,1-3H3
InChIKey JSTSCKQXIWFXHW-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 7HKbRwFfgTT
Name 1-Ethanone, 1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O3S
InChI InChI=1S/C14H13N3O3S/c1-8-6-9(2)16-14(15-8)21-13-5-4-11(10(3)18)7-12(13)17(19)20/h4-7H,1-3H3
InChIKey JSTSCKQXIWFXHW-UHFFFAOYSA-N
Molecular Weight 303.336 g/mol
SMILES Cc1cc(nc(n1)Sc1c(cc(cc1)C(C)=O)N(=O)=O)C
SPLASH splash10-0a4i-6490000000-c7d603057eeb6aeee5ff
Source of Spectrum IY-1-4322-2
Synonyms 1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]ethanone 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]ethanone 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]ethanone
Wiley ID 1651205