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3H-pyrazol-3-one, 4-(acetyloxy)-2,4-dihydro-4,5-dimethyl-2-phenyl-
SpectraBase Compound ID 544Qeeo3nZ6
InChI InChI=1S/C13H14N2O3/c1-9-13(3,18-10(2)16)12(17)15(14-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey BIQNLWIBNLHDAP-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7cVqvCP5GR
Name 3H-pyrazol-3-one, 4-(acetyloxy)-2,4-dihydro-4,5-dimethyl-2-phenyl-
Alternate Name(s) 3,4-Dimethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl acetate Acetic acid (3,4-dimethyl-5-oxo-1-phenyl-4-pyrazolyl) ester (3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl) acetate (3,4-dimethyl-5-oxo-1-phenyl-pyrazol-4-yl) acetate (3,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl) ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-9-13(3,18-10(2)16)12(17)15(14-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey BIQNLWIBNLHDAP-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES CC(=O)OC1(C)C(=NN(C1=O)c1ccccc1)C
SPLASH splash10-002e-9530000000-fadaa37bdee8c61c7914
Source of Spectrum JX-2015-1-488
Wiley ID 1721310