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(5-(4-(methylsulfonyl)phenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
SpectraBase Compound ID DIYYSNvg70T
InChI InChI=1S/C23H19N3O5S/c1-32(30,31)20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)23(27)18-7-11-19(12-8-18)26(28)29/h2-14,22H,15H2,1H3
InChIKey NTFZUFHPHUXWJH-UHFFFAOYSA-N
Mol Weight 449.48 g/mol
Molecular Formula C23H19N3O5S
Exact Mass 449.104542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HiGmKYIafu
Name (5-(4-(methylsulfonyl)phenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(4-nitrophenyl)methanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N3O5S
InChI InChI=1S/C23H19N3O5S/c1-32(30,31)20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)23(27)18-7-11-19(12-8-18)26(28)29/h2-14,22H,15H2,1H3
InChIKey NTFZUFHPHUXWJH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202000832
Molecular Weight 449.481 g/mol
SMILES CS(c1ccc(cc1)C1CC(=NN1C(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1)(=O)=O
SPLASH splash10-0udj-0822900000-d3a320e31817d047104d
Source of Spectrum CBD-18-SM42-17
Wiley ID 1865157