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2-Benzyl-5-isobutyl-pyrazole-1-oxide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L9fthOxSVdh
Name 2-Benzyl-5-isobutyl-pyrazole-1-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.141913207 u
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=CC=CC=C1CN1C=CC(CC(C)C)=N1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968878