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N-(3',4',5'-Trifluorobiphenyl-2-yl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID K6bvRNTjkZ7
InChI InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
InChIKey SXSGXWCSHSVPGB-UHFFFAOYSA-N
Mol Weight 381.31 g/mol
Molecular Formula C18H12F5N3O
Exact Mass 381.090053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WS48VVXAMp
Name N-(3',4',5'-Trifluorobiphenyl-2-yl)-3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F5N3O
InChI InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
InChIKey SXSGXWCSHSVPGB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301980j
Molecular Weight 381.306 g/mol
SMILES N(c1ccccc1-c1cc(c(F)c(c1)F)F)C(=O)c1c[n](nc1C(F)F)C
SPLASH splash10-053r-1907000000-da8c263549535aacbd06
Source of Spectrum J-77-10705-45
Synonyms 3-(difluoromethyl)-1-methyl-N-(3',4',5'-trifluoro-[1,1'-biphenyl]-2-yl)-1H-pyrazole-4-carboxamide 3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]-4-pyrazolecarboxamide 3-[bis(fluoranyl)methyl]-1-methyl-N-[2-[3,4,5-tris(fluoranyl)phenyl]phenyl]pyrazole-4-carboxamide
Wiley ID 1747199