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Ethyl 3-[2-(5-phenyl-3-styryl-4,5-dihydro-1H-pyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-6-yl]propanoate
SpectraBase Compound ID 85bdIJ5fsyj
InChI InChI=1S/C27H25F3N4O2/c1-2-36-25(35)16-15-21-18-24(27(28,29)30)32-26(31-21)34-23(20-11-7-4-8-12-20)17-22(33-34)14-13-19-9-5-3-6-10-19/h3-14,18,23H,2,15-17H2,1H3/b14-13+
InChIKey LOUDMUSMZSWEFS-BUHFOSPRSA-N
Mol Weight 494.52 g/mol
Molecular Formula C27H25F3N4O2
Exact Mass 494.192961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GeX5KhczQ
Name Ethyl 3-[2-(5-phenyl-3-styryl-4,5-dihydro-1H-pyrazol-1-yl)-4-(trifluoromethyl)pyrimidin-6-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25F3N4O2
InChI InChI=1S/C27H25F3N4O2/c1-2-36-25(35)16-15-21-18-24(27(28,29)30)32-26(31-21)34-23(20-11-7-4-8-12-20)17-22(33-34)14-13-19-9-5-3-6-10-19/h3-14,18,23H,2,15-17H2,1H3/b14-13+
InChIKey LOUDMUSMZSWEFS-BUHFOSPRSA-N
Molecular Weight 494.518 g/mol
SMILES c1(N2N=C(\C=C\c3ccccc3)CC2c2ccccc2)nc(C(F)(F)F)cc(n1)CCC(=O)OCC
SPLASH splash10-002f-0682900000-2b8501c938d3573906a4
Source of Spectrum F4-0-2353-6
Synonyms Ethyl 3-[2-{5-phenyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-1-yl}-6-(trifluoromethyl)-4-pyrimidinyl]propanoate
Wiley ID 1620204