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2-(2-{4-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-diazenyl)-5-methyl-1H-pyrazol-3-yl}hydrazono)-3-(4-(aminosulfonyl) phenylamino)-3-oxopropanenitrile
SpectraBase Compound ID 17INVKr5WDV
InChI InChI=1S/C24H23N11O4S/c1-14-20(30-31-21-15(2)34(3)35(24(21)37)17-7-5-4-6-8-17)22(32-28-14)33-29-19(13-25)23(36)27-16-9-11-18(12-10-16)40(26,38)39/h4-12H,1-3H3,(H,27,36)(H2,26,38,39)(H2,28,32,33)
InChIKey YRGYYDBRPJUDCT-UHFFFAOYSA-N
Mol Weight 561.58 g/mol
Molecular Formula C24H23N11O4S
Exact Mass 561.165519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WKP0aZSbnW
Name 2-(2-{4-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-diazenyl)-5-methyl-1H-pyrazol-3-yl}hydrazono)-3-(4-(aminosulfonyl) phenylamino)-3-oxopropanenitrile
Appearance Reddish-brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23N11O4S
InChI InChI=1S/C24H23N11O4S/c1-14-20(30-31-21-15(2)34(3)35(24(21)37)17-7-5-4-6-8-17)22(32-28-14)33-29-19(13-25)23(36)27-16-9-11-18(12-10-16)40(26,38)39/h4-12H,1-3H3,(H,27,36)(H2,26,38,39)(H2,28,32,33)
InChIKey YRGYYDBRPJUDCT-UHFFFAOYSA-N
Instrument Name JEOL-JMS 600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2576
Molecular Weight 561.581 g/mol
SMILES [nH]1c(c(c(n1)NN=C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C#N)N=NC=1C(N(N(C)C1C)c1ccccc1)=O)C
SPLASH splash10-000i-9100000000-1f731ad1b3095c656cd8
Source of Spectrum Y-54-275-37
Wiley ID 1877808