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3-tert-Butyl-4-fluoro-5-phenyl-1H-pyrazole
SpectraBase Compound ID LwNV9vwxaUn
InChI InChI=1S/C13H15FN2/c1-13(2,3)12-10(14)11(15-16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,15,16)
InChIKey UWONYIKLYPQNAL-UHFFFAOYSA-N
Mol Weight 218.28 g/mol
Molecular Formula C13H15FN2
Exact Mass 218.121927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJJR4RbIFG9
Name 3-tert-Butyl-4-fluoro-5-phenyl-1H-pyrazole
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15FN2
InChI InChI=1S/C13H15FN2/c1-13(2,3)12-10(14)11(15-16-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,15,16)
InChIKey UWONYIKLYPQNAL-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.3762/bjoc.7.120
Molecular Weight 218.275 g/mol
SMILES [nH]1c(c(c(n1)C(C)(C)C)F)-c1ccccc1
SPLASH splash10-0gb9-1390000000-e5c40ebb56e9ae8e5a39
Source of Spectrum BJO-7-SM4-4h
Wiley ID 1867026