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1-Propanone, 1-(1-methyl-1H-imidazol-5-yl)-3-(2-nitrophenyl)-2-(phenylsulfonyl)-, (.+-.)-
SpectraBase Compound ID G4KdA8JdW7P
InChI InChI=1S/C19H17N3O5S/c1-21-13-20-12-17(21)19(23)18(28(26,27)15-8-3-2-4-9-15)11-14-7-5-6-10-16(14)22(24)25/h2-10,12-13,18H,11H2,1H3
InChIKey CGHUNMFHSSKRTB-UHFFFAOYSA-N
Mol Weight 399.42 g/mol
Molecular Formula C19H17N3O5S
Exact Mass 399.088892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KniBFqLZh5P
Name 1-Propanone, 1-(1-methyl-1H-imidazol-5-yl)-3-(2-nitrophenyl)-2-(phenylsulfonyl)-, (.+-.)-
CAS Registry Number 60716-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3O5S
InChI InChI=1S/C19H17N3O5S/c1-21-13-20-12-17(21)19(23)18(28(26,27)15-8-3-2-4-9-15)11-14-7-5-6-10-16(14)22(24)25/h2-10,12-13,18H,11H2,1H3
InChIKey CGHUNMFHSSKRTB-UHFFFAOYSA-N
Molecular Weight 399.421 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(c1[n](cnc1)C)=O)Cc1c(N(=O)=O)cccc1
SPLASH splash10-0pb9-0923000000-b7e490cfa8bd42603ce4
Source of Spectrum F-32-1093-0
Synonyms 1-(1-Methyl-1H-imidazol-5-yl)-3-(2-nitrophenyl)-2-(phenylsulfonyl)-1-propanone 1-Methyl-5-(.alpha.-phenylsulfonyl-.beta.-(0-nitrophenyl)propionyl)-imidazole
Wiley ID 1368907