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5-(4-Methoxyphenyl)-3-(perfluoropropyl)-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

5-(4-Methoxyphenyl)-3-(perfluoropropyl)-1H-pyrazole
SpectraBase Compound ID JtcJfHb3JTH
InChI InChI=1S/C13H9F7N2O/c1-23-8-4-2-7(3-5-8)9-6-10(22-21-9)11(14,15)12(16,17)13(18,19)20/h2-6H,1H3,(H,21,22)
InChIKey FTUWBRLQSHATEJ-UHFFFAOYSA-N
Mol Weight 342.22 g/mol
Molecular Formula C13H9F7N2O
Exact Mass 342.06031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dc7furyHoUL
Name 5-(4-Methoxyphenyl)-3-(perfluoropropyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F7N2O
InChI InChI=1S/C13H9F7N2O/c1-23-8-4-2-7(3-5-8)9-6-10(22-21-9)11(14,15)12(16,17)13(18,19)20/h2-6H,1H3,(H,21,22)
InChIKey FTUWBRLQSHATEJ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB01151E
Molecular Weight 342.217 g/mol
SMILES [nH]1c(cc(n1)C(C(C(F)(F)F)(F)F)(F)F)-c1ccc(cc1)OC
SPLASH splash10-0006-0139000000-6ee5b7d172326abb060d
Source of Spectrum F5-13-8286-5c
Wiley ID 1806997