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3-Pyrazolidinone, 2-acetyl-5-methyl-1-[(2-nitrophenyl)methyl]-, (.+-.)-
SpectraBase Compound ID 11Bg5lGPMmM
InChI InChI=1S/C13H15N3O4/c1-9-7-13(18)15(10(2)17)14(9)8-11-5-3-4-6-12(11)16(19)20/h3-6,9H,7-8H2,1-2H3
InChIKey GWYIHDVLPCJVBD-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqhzCDUdBLy
Name 3-Pyrazolidinone, 2-acetyl-5-methyl-1-[(2-nitrophenyl)methyl]-, (.+-.)-
Alternate Name(s) 2-Acetyl-5-methyl-1-(2-nitrobenzyl)-3-pyrazolidinone 2-Acetyl-5-methyl-1-(o-nitrobenzyl)pyrazolidin-3-one
CAS Registry Number 130065-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-9-7-13(18)15(10(2)17)14(9)8-11-5-3-4-6-12(11)16(19)20/h3-6,9H,7-8H2,1-2H3
InChIKey GWYIHDVLPCJVBD-UHFFFAOYSA-N
Molecular Weight 277.280 g/mol
SMILES C(N1N(C(CC1C)=O)C(=O)C)c1c(N(=O)=O)cccc1
SPLASH splash10-00ks-3690000000-7c516073670993ade4c3
Source of Spectrum J-55-6043-33
Wiley ID 1280876