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2-[3-(2-Methylstyryl)-5-(2-tolyl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(2-thienyl)-4-(trifluoromethyl)pyrimidine
SpectraBase Compound ID EKP9CNemkSv
InChI InChI=1S/C28H23F3N4S/c1-18-8-3-5-10-20(18)13-14-21-16-24(22-11-6-4-9-19(22)2)35(34-21)27-32-23(25-12-7-15-36-25)17-26(33-27)28(29,30)31/h3-15,17,24H,16H2,1-2H3/b14-13+
InChIKey OJICVXHXIBNWRQ-BUHFOSPRSA-N
Mol Weight 504.58 g/mol
Molecular Formula C28H23F3N4S
Exact Mass 504.159552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk3dxA8jLo5
Name 2-[3-(2-Methylstyryl)-5-(2-tolyl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(2-thienyl)-4-(trifluoromethyl)pyrimidine
Alternate Name(s) 2-{5-(2-methylphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23F3N4S
InChI InChI=1S/C28H23F3N4S/c1-18-8-3-5-10-20(18)13-14-21-16-24(22-11-6-4-9-19(22)2)35(34-21)27-32-23(25-12-7-15-36-25)17-26(33-27)28(29,30)31/h3-15,17,24H,16H2,1-2H3/b14-13+
InChIKey OJICVXHXIBNWRQ-BUHFOSPRSA-N
Molecular Weight 504.575 g/mol
SMILES c1(N2C(c3c(C)cccc3)CC(=N2)\C=C\c2c(C)cccc2)nc(C(F)(F)F)cc(n1)-c1sccc1
SPLASH splash10-05r3-0903700000-cee7876fb25b272a6296
Source of Spectrum F4-0-2353-11
Wiley ID 1620199