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3,5-Dimethyl-1-[3-(pentan-2-yl)phenyl]-1H-pyrazole
SpectraBase Compound ID 7iEF2JUEFBJ
InChI InChI=1S/C16H22N2/c1-5-7-12(2)15-8-6-9-16(11-15)18-14(4)10-13(3)17-18/h6,8-12H,5,7H2,1-4H3
InChIKey NKBHSLXFLQKHOI-UHFFFAOYSA-N
Mol Weight 242.37 g/mol
Molecular Formula C16H22N2
Exact Mass 242.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YtpEh10hUa
Name 3,5-Dimethyl-1-[3-(pentan-2-yl)phenyl]-1H-pyrazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2
InChI InChI=1S/C16H22N2/c1-5-7-12(2)15-8-6-9-16(11-15)18-14(4)10-13(3)17-18/h6,8-12H,5,7H2,1-4H3
InChIKey NKBHSLXFLQKHOI-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202007144
Molecular Weight 242.366 g/mol
SMILES c1c(cc(cc1)C(CCC)C)-[n]1c(cc(n1)C)C
SPLASH splash10-0005-3950000000-43fe0c5c0ea2a444ccd0
Source of Spectrum ACI-59-SM26-7gh
Wiley ID 1858342