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Ethyl 5-methyl-1-phenyl-3-(5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 2RNQ5TW36do
InChI InChI=1S/C24H22N6O2/c1-3-32-23(31)21-16(2)29(18-12-8-5-9-13-18)28-22(21)20-14-19(17-10-6-4-7-11-17)27-24-25-15-26-30(20)24/h4-15,19H,3H2,1-2H3,(H,25,26,27)
InChIKey KCGKDIPEZOOKPR-UHFFFAOYSA-N
Mol Weight 426.48 g/mol
Molecular Formula C24H22N6O2
Exact Mass 426.180424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Z4l00aUOdO
Name Ethyl 5-methyl-1-phenyl-3-(5-phenyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-4-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N6O2
InChI InChI=1S/C24H22N6O2/c1-3-32-23(31)21-16(2)29(18-12-8-5-9-13-18)28-22(21)20-14-19(17-10-6-4-7-11-17)27-24-25-15-26-30(20)24/h4-15,19H,3H2,1-2H3,(H,25,26,27)
InChIKey KCGKDIPEZOOKPR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS Q1000-EX and HP GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2968
Molecular Weight 426.480 g/mol
SMILES N1c2[n](C(=CC1c1ccccc1)c1c(C(OCC)=O)c([n](n1)-c1ccccc1)C)ncn2
SPLASH splash10-0ufr-9322000000-d682e2c53a40613bebeb
Source of Spectrum Y-54-3453-5c
Wiley ID 1878705