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Ethyl 4-(4-{2-[5-(2,4-dichlorobenzylidene)-2,4-dioxothiazolidin-3-yl]acetamido}benzamido)benzoate
SpectraBase Compound ID 9zNFHbRqFrb
InChI InChI=1S/C28H21Cl2N3O6S/c1-2-39-27(37)17-6-11-21(12-7-17)32-25(35)16-4-9-20(10-5-16)31-24(34)15-33-26(36)23(40-28(33)38)13-18-3-8-19(29)14-22(18)30/h3-14H,2,15H2,1H3,(H,31,34)(H,32,35)
InChIKey LPXWDNBQLJJHBW-UHFFFAOYSA-N
Mol Weight 598.46 g/mol
Molecular Formula C28H21Cl2N3O6S
Exact Mass 597.052812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rxOXElKXFn
Name Ethyl 4-(4-{2-[5-(2,4-dichlorobenzylidene)-2,4-dioxothiazolidin-3-yl]acetamido}benzamido)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21Cl2N3O6S
InChI InChI=1S/C28H21Cl2N3O6S/c1-2-39-27(37)17-6-11-21(12-7-17)32-25(35)16-4-9-20(10-5-16)31-24(34)15-33-26(36)23(40-28(33)38)13-18-3-8-19(29)14-22(18)30/h3-14H,2,15H2,1H3,(H,31,34)(H,32,35)
InChIKey LPXWDNBQLJJHBW-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000279
Molecular Weight 598.457 g/mol
SMILES N(c1ccc(C(=O)OCC)cc1)C(c1ccc(cc1)NC(CN1C(SC(C1=O)=Cc1c(cc(cc1)Cl)Cl)=O)=O)=O
SPLASH splash10-00di-0900000000-023be5ee19dc6ca7e8b4
Source of Spectrum APC-354-15-18
Wiley ID 1856449