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(E)-3-(4-Methoxyphenyl)-1-[5-methyl-1-(4-nitrophenyl)-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-en-1-one
SpectraBase Compound ID 4tIH5wUNcG4
InChI InChI=1S/C24H19N3O4S/c1-16-23(21(28)14-7-17-5-12-20(31-2)13-6-17)24(22-4-3-15-32-22)25-26(16)18-8-10-19(11-9-18)27(29)30/h3-15H,1-2H3/b14-7+
InChIKey QIZZOIKBSLGANV-VGOFMYFVSA-N
Mol Weight 445.49 g/mol
Molecular Formula C24H19N3O4S
Exact Mass 445.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiC3N6EPpUz
Name (E)-3-(4-Methoxyphenyl)-1-[5-methyl-1-(4-nitrophenyl)-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-en-1-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19N3O4S
InChI InChI=1S/C24H19N3O4S/c1-16-23(21(28)14-7-17-5-12-20(31-2)13-6-17)24(22-4-3-15-32-22)25-26(16)18-8-10-19(11-9-18)27(29)30/h3-15H,1-2H3/b14-7+
InChIKey QIZZOIKBSLGANV-VGOFMYFVSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100381
Molecular Weight 445.493 g/mol
SMILES c1(sccc1)-c1n[n](c(c1C(\C=C\c1ccc(cc1)OC)=O)C)-c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-006t-2622900000-29dde91c3e3fad6e29cf
Source of Spectrum APC-355-9-7j
Wiley ID 1868734