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5-(4-(methylsulfonyl)phenyl)-N-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
SpectraBase Compound ID 7lTVSDSj5Xy
InChI InChI=1S/C23H20N4O5S/c1-33(31,32)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)23(28)24-18-9-11-19(12-10-18)27(29)30/h2-14,22H,15H2,1H3,(H,24,28)
InChIKey GIEOSOMAXYXJOW-UHFFFAOYSA-N
Mol Weight 464.5 g/mol
Molecular Formula C23H20N4O5S
Exact Mass 464.115441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Eeg2V3bfSl
Name 5-(4-(methylsulfonyl)phenyl)-N-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N4O5S
InChI InChI=1S/C23H20N4O5S/c1-33(31,32)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)25-26(22)23(28)24-18-9-11-19(12-10-18)27(29)30/h2-14,22H,15H2,1H3,(H,24,28)
InChIKey GIEOSOMAXYXJOW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202000832
Molecular Weight 464.496 g/mol
SMILES N(C(N1N=C(CC1c1ccc(S(C)(=O)=O)cc1)c1ccccc1)=O)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0w2a-0944200000-bf9261938f45184b5a6c
Source of Spectrum CBD-18-SM48-23
Wiley ID 1865162