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3,3,3-Trifluoro-2-(2-fluoro-benzoylamino)-2-(5-methyl-2-phenyl-2H-pyrazol-3-ylamino)-propionic acid methyl ester
SpectraBase Compound ID BLPQr0TDrlg
InChI InChI=1S/C21H18F4N4O3/c1-13-12-17(29(28-13)14-8-4-3-5-9-14)26-20(19(31)32-2,21(23,24)25)27-18(30)15-10-6-7-11-16(15)22/h3-12,26H,1-2H3,(H,27,30)
InChIKey FHZRICVWRLYMFX-UHFFFAOYSA-N
Mol Weight 450.39 g/mol
Molecular Formula C21H18F4N4O3
Exact Mass 450.131503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oiaDw0MdUE
Name 3,3,3-Trifluoro-2-(2-fluoro-benzoylamino)-2-(5-methyl-2-phenyl-2H-pyrazol-3-ylamino)-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F4N4O3
InChI InChI=1S/C21H18F4N4O3/c1-13-12-17(29(28-13)14-8-4-3-5-9-14)26-20(19(31)32-2,21(23,24)25)27-18(30)15-10-6-7-11-16(15)22/h3-12,26H,1-2H3,(H,27,30)
InChIKey FHZRICVWRLYMFX-UHFFFAOYSA-N
Molecular Weight 450.394 g/mol
SMILES N(c1[n](nc(c1)C)-c1ccccc1)C(NC(c1c(F)cccc1)=O)(C(F)(F)F)C(=O)OC
SPLASH splash10-0fk9-5950000000-b90853d06e59d08cded8
Synonyms 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]propionic acid methyl ester 3,3,3-trifluoro-2-[[(2-fluorophenyl)-oxomethyl]amino]-2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propanoate Methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(2-fluorophenyl)carbonylamino]-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]propanoate
Wiley ID 1462463