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Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(2,4-dichlorophenyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 61ugUkkYShy
InChI InChI=1S/C30H23Cl2N5O3/c1-3-40-30(39)26-27(36-37(24-12-8-5-9-13-24)28(26)20-10-6-4-7-11-20)19(2)34-35-29(38)22(18-33)16-21-14-15-23(31)17-25(21)32/h4-17H,3H2,1-2H3,(H,35,38)/b22-16-,34-19+
InChIKey ZDFPMUMXHVDPJL-BGHZOZHUSA-N
Mol Weight 572.45 g/mol
Molecular Formula C30H23Cl2N5O3
Exact Mass 571.117795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JfxyNu0w2C
Name Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(2,4-dichlorophenyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(2,4-dichlorophenyl)acryloyl)hydrazineylidene)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H23Cl2N5O3
InChI InChI=1S/C30H23Cl2N5O3/c1-3-40-30(39)26-27(36-37(24-12-8-5-9-13-24)28(26)20-10-6-4-7-11-20)19(2)34-35-29(38)22(18-33)16-21-14-15-23(31)17-25(21)32/h4-17H,3H2,1-2H3,(H,35,38)/b22-16-,34-19+
InChIKey ZDFPMUMXHVDPJL-BGHZOZHUSA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 572.452 g/mol
SMILES N(\N=C\(c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)C)C(\C(=C/c1c(cc(cc1)Cl)Cl)C#N)=O
SPLASH splash10-0100-2123290000-95d1a8e5e3e1e44ed182
Source of Spectrum H1-92-657-6g
Wiley ID 1804125