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2-BENZYL-5-ISOBUTYL-PYRAZOLE-1-OXIDE

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2-BENZYL-5-ISOBUTYL-PYRAZOLE-1-OXIDE
SpectraBase Compound ID DTH0JE6yu8d
InChI InChI=1S/C14H18N2O/c1-12(2)10-14-8-9-15(16(14)17)11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKey SCIAMZUAGHBKTO-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 GWgvQ5h0nDa
Name 1-Benzyl-3-(2-methylpropyl)-2-oxidopyrazol-2-ium
Alternate Name(s) 1-Benzyl-3-isobutyl-2-oxido-pyrazol-2-ium 3-(2-Methylpropyl)-2-oxidanidyl-1-(phenylmethyl)pyrazol-2-ium 3-(2-Methylpropyl)-2-oxido-1-(phenylmethyl)pyrazol-2-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O
InChI InChI=1S/C14H18N2O/c1-12(2)10-14-8-9-15(16(14)17)11-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKey SCIAMZUAGHBKTO-UHFFFAOYSA-N
Molecular Weight 230.311 g/mol
SMILES c1[n]([n+](c(c1)CC(C)C)[O-])Cc1ccccc1
SPLASH splash10-0006-9240000000-df37556cfd253f536851
Source of Spectrum KC-0-2780-7
Wiley ID 784565