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1-[4-benzoyl-1-(4-nitrophenyl)-1H-pyrazol-3-yl]-ethanone
SpectraBase Compound ID 2rdm6DUDmCL
InChI InChI=1S/C18H13N3O4/c1-12(22)17-16(18(23)13-5-3-2-4-6-13)11-20(19-17)14-7-9-15(10-8-14)21(24)25/h2-11H,1H3
InChIKey HCFFMAVQEHYRBM-UHFFFAOYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C18H13N3O4
Exact Mass 335.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8iegUuoC8N
Name 1-[4-benzoyl-1-(4-nitrophenyl)-1H-pyrazol-3-yl]-ethanone
Alternate Name(s) 1-[4-benzoyl-1-(4-nitrophenyl)-3-pyrazolyl]ethanone 1-[1-(4-nitrophenyl)-4-(phenylcarbonyl)pyrazol-3-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O4
InChI InChI=1S/C18H13N3O4/c1-12(22)17-16(18(23)13-5-3-2-4-6-13)11-20(19-17)14-7-9-15(10-8-14)21(24)25/h2-11H,1H3
InChIKey HCFFMAVQEHYRBM-UHFFFAOYSA-N
Molecular Weight 335.319 g/mol
SMILES c1(c(n[n](c1)-c1ccc(N(=O)=O)cc1)C(=O)C)C(=O)c1ccccc1
SPLASH splash10-0a70-9547000000-3a6b37b293e38aa3940a
Source of Spectrum F2-45-1046-2d
Wiley ID 1689101