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3-Benzyl-1-methyl-1H-pyrazol-5(4H)-one
SpectraBase Compound ID KJquCKzEqZY
InChI InChI=1S/C11H12N2O/c1-13-11(14)8-10(12-13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey GBFJBJMJPGDBFE-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C11H12N2O
Exact Mass 188.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGa55DZD546
Name 3-Benzyl-1-methyl-1H-pyrazol-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O
InChI InChI=1S/C11H12N2O/c1-13-11(14)8-10(12-13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey GBFJBJMJPGDBFE-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc05237d
Molecular Weight 188.230 g/mol
SMILES C1(N(N=C(C1)Cc1ccccc1)C)=O
SPLASH splash10-014i-0900000000-d9e5514342aea977fb13
Source of Spectrum KD-50-13121/SM-1e
Synonyms 5-Benzyl-2-methyl-4H-pyrazol-3-one 2-Methyl-5-(phenylmethyl)-4H-pyrazol-3-one
Wiley ID 1754886