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3,5-Dimethyl-1-(3-neopentylphenyl)-1H-pyrazole
SpectraBase Compound ID Hu5tbSjaF9v
InChI InChI=1S/C16H22N2/c1-12-9-13(2)18(17-12)15-8-6-7-14(10-15)11-16(3,4)5/h6-10H,11H2,1-5H3
InChIKey FYTTYSAHQKJJME-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 CEuv5H3SYwZ
Name 3,5-Dimethyl-1-(3-neopentylphenyl)-1H-pyrazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2
InChI InChI=1S/C16H22N2/c1-12-9-13(2)18(17-12)15-8-6-7-14(10-15)11-16(3,4)5/h6-10H,11H2,1-5H3
InChIKey FYTTYSAHQKJJME-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202007144
Molecular Weight 242.366 g/mol
Reported Formula C16H22N2
SMILES c1c(cc(cc1)CC(C)(C)C)-[n]1c(cc(n1)C)C
SPLASH splash10-000i-1920000000-f959c7b47ca66837c3f8
Source of Spectrum ACI-59-SM27-7gi
Wiley ID 1858343