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4-(1-hydroxyethylidene)-5-methyl-5-(4-nitrophenyl)-2-phenyl-pyrazolidin-3-one(Autogenerated)
SpectraBase Compound ID IAPyGrGaeIE
InChI InChI=1S/C18H17N3O4/c1-12(22)16-17(23)20(14-6-4-3-5-7-14)19-18(16,2)13-8-10-15(11-9-13)21(24)25/h3-11,19,22H,1-2H3
InChIKey LIKJBXKHFIQIOP-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcjfFeeJGJV
Name 4-(1-hydroxyethylidene)-5-methyl-5-(4-nitrophenyl)-2-phenyl-pyrazolidin-3-one(Autogenerated)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.121906035 u
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-12(22)16-17(23)20(14-6-4-3-5-7-14)19-18(16,2)13-8-10-15(11-9-13)21(24)25/h3-11,19,22H,1-2H3
InChIKey LIKJBXKHFIQIOP-UHFFFAOYSA-N
Instrument Name VG ZabSpec
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.510
Molecular Weight 339.351 g/mol
Quality 409
SMILES N1C(C(=C(C)O)C(N1C1=CC=CC=C1)=O)(C)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-0a4r-3195000000-ffa316891d58c8da2e39
Source of Spectrum ARK-2003-104-5t (DOI: 10.3998/ark.5550190.0004.510)
Thin-Layer Chromatography 0.55 (benzene/acetonitrile, 1:1)
Wiley ID 1899947