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tert-Butyl 5-phenyl-3-(trifluoromethyl)-1H-pyrazole-1-carboxylate
SpectraBase Compound ID HtGFD7uNWvD
InChI InChI=1S/C15H15F3N2O2/c1-14(2,3)22-13(21)20-11(10-7-5-4-6-8-10)9-12(19-20)15(16,17)18/h4-9H,1-3H3
InChIKey VTSFJKWBMHEFRI-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C15H15F3N2O2
Exact Mass 312.108562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H09XP42TVr3
Name tert-Butyl 5-phenyl-3-(trifluoromethyl)-1H-pyrazole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15F3N2O2
InChI InChI=1S/C15H15F3N2O2/c1-14(2,3)22-13(21)20-11(10-7-5-4-6-8-10)9-12(19-20)15(16,17)18/h4-9H,1-3H3
InChIKey VTSFJKWBMHEFRI-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4cc01280a
Molecular Weight 312.292 g/mol
SMILES C(C)(C)(OC([n]1nc(cc1-c1ccccc1)C(F)(F)F)=O)C
SPLASH splash10-03di-0590000000-3e29b4775b48a0d2003a
Source of Spectrum KD-50-4361/SMS12-3m
Wiley ID 1754555