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3,4-Diacetyl-1-(4-acetylphenyl)-5-methyl-1H-pyrazole
SpectraBase Compound ID 9RajyzpAedq
InChI InChI=1S/C16H16N2O3/c1-9-15(11(3)20)16(12(4)21)17-18(9)14-7-5-13(6-8-14)10(2)19/h5-8H,1-4H3
InChIKey YNBWUWJWVRMQHQ-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C16H16N2O3
Exact Mass 284.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21I0QYJrzX8
Name 3,4-Diacetyl-1-(4-acetylphenyl)-5-methyl-1H-pyrazole
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O3
InChI InChI=1S/C16H16N2O3/c1-9-15(11(3)20)16(12(4)21)17-18(9)14-7-5-13(6-8-14)10(2)19/h5-8H,1-4H3
InChIKey YNBWUWJWVRMQHQ-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2644
Molecular Weight 284.315 g/mol
SMILES C(C)(=O)c1c(n[n](c1C)-c1ccc(cc1)C(C)=O)C(C)=O
SPLASH splash10-014i-1090000000-c34d14c1ada6cd678b28
Source of Spectrum Y-54-702-3
Wiley ID 1877936