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1-(2,4-difluorophenyl)-3-[4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]phenyl]urea
SpectraBase Compound ID 7wXhOpC0XVP
InChI InChI=1S/C18H13F5N4O/c1-10-8-16(18(21,22)23)27(26-10)13-5-3-12(4-6-13)24-17(28)25-15-7-2-11(19)9-14(15)20/h2-9H,1H3,(H2,24,25,28)
InChIKey JIMILKAXDCFKHA-UHFFFAOYSA-N
Mol Weight 396.32 g/mol
Molecular Formula C18H13F5N4O
Exact Mass 396.100952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7yMtbm6Ddv
Name 1-(2,4-difluorophenyl)-3-[4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]phenyl]urea
Alternate Name(s) 1-(2,4-difluorophenyl)-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]urea 1-[2,4-bis(fluoranyl)phenyl]-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]urea Urea, 1-(2,4-difluorophenyl)-3-[4-(3-methyl-5-trifluoromethylpyrazol-1-yl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F5N4O
InChI InChI=1S/C18H13F5N4O/c1-10-8-16(18(21,22)23)27(26-10)13-5-3-12(4-6-13)24-17(28)25-15-7-2-11(19)9-14(15)20/h2-9H,1H3,(H2,24,25,28)
InChIKey JIMILKAXDCFKHA-UHFFFAOYSA-N
Molecular Weight 396.321 g/mol
SMILES N(C(Nc1ccc(-[n]2nc(cc2C(F)(F)F)C)cc1)=O)c1ccc(cc1F)F
SPLASH splash10-004i-3921000000-d4a4c6ccb594e7a83624
Wiley ID 1446904