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3H-Pyrazol-3-one, 4-butyl-2,4-dihydro-5-methyl-2-phenyl-
SpectraBase Compound ID 3uEIXVKSLWR
InChI InChI=1S/C14H18N2O/c1-3-4-10-13-11(2)15-16(14(13)17)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3
InChIKey RQKDTEZUUIDMAR-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C14H18N2O
Exact Mass 230.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aGevIIgzEU
Name 3H-Pyrazol-3-one, 4-butyl-2,4-dihydro-5-methyl-2-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O
InChI InChI=1S/C14H18N2O/c1-3-4-10-13-11(2)15-16(14(13)17)12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3
InChIKey RQKDTEZUUIDMAR-UHFFFAOYSA-N
Molecular Weight 230.311 g/mol
SMILES CCCCC1C(=NN(C1=O)c1ccccc1)C
SPLASH splash10-00bi-9840000000-d3b5cd116d07a1b1537e
Source of Spectrum JX-2015-0-883
Synonyms 4-Butyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one 4-Butyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 4-Butyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Wiley ID 1720758