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Ethyl 5-methyl-1-phenyl-3-(7-phenyl-7H-thiazolo[3,2-a]pyrimidin-5-yl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID J0Qj8lmelCU
InChI InChI=1S/C25H22N4O2S/c1-3-31-24(30)22-17(2)29(19-12-8-5-9-13-19)27-23(22)21-16-20(18-10-6-4-7-11-18)26-25-28(21)14-15-32-25/h4-16,20H,3H2,1-2H3
InChIKey PBCZWPVQWNHLCQ-UHFFFAOYSA-N
Mol Weight 442.54 g/mol
Molecular Formula C25H22N4O2S
Exact Mass 442.146347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2jrd7YAG56
Name Ethyl 5-methyl-1-phenyl-3-(7-phenyl-7H-thiazolo[3,2-a]pyrimidin-5-yl)-1H-pyrazole-4-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N4O2S
InChI InChI=1S/C25H22N4O2S/c1-3-31-24(30)22-17(2)29(19-12-8-5-9-13-19)27-23(22)21-16-20(18-10-6-4-7-11-18)26-25-28(21)14-15-32-25/h4-16,20H,3H2,1-2H3
InChIKey PBCZWPVQWNHLCQ-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 442.537 g/mol
SMILES c1(ccccc1)-[n]1nc(c(c1C)C(=O)OCC)C1=CC(N=C2N1C=CS2)c1ccccc1
SPLASH splash10-004l-9722000000-6e38f147c2c3944d9336
Source of Spectrum Y-54-3454-14b
Wiley ID 1878696