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4,4'-methylenebis(3-p-phenylene-2-thioureido)benzoic acid, diethyl ester
SpectraBase Compound ID 85g9IoXXyUe
InChI InChI=1S/C33H32N4O4S2/c1-3-40-30(38)24-9-17-28(18-10-24)36-32(42)34-26-13-5-22(6-14-26)21-23-7-15-27(16-8-23)35-33(43)37-29-19-11-25(12-20-29)31(39)41-4-2/h5-20H,3-4,21H2,1-2H3,(H2,34,36,42)(H2,35,37,43)
InChIKey FEUDZRHCEDODGT-UHFFFAOYSA-N
Mol Weight 612.8 g/mol
Molecular Formula C33H32N4O4S2
Exact Mass 612.186498 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hd6X2aPQCXd
Name 4,4'-METHYLENEBIS(3-p-PHENYLENE-2-THIOUREIDO)BENZOIC ACID, DIETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H32N4O4S2
InChI InChI=1S/C33H32N4O4S2/c1-3-40-30(38)24-9-17-28(18-10-24)36-32(42)34-26-13-5-22(6-14-26)21-23-7-15-27(16-8-23)35-33(43)37-29-19-11-25(12-20-29)31(39)41-4-2/h5-20H,3-4,21H2,1-2H3,(H2,34,36,42)(H2,35,37,43)
InChIKey FEUDZRHCEDODGT-UHFFFAOYSA-N
Melting Point 184C
Molecular Weight 612.78
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 4,4'-METHYLENEBIS- /3-P-PHENYLENE-2-THIOUREIDO/-, DIETHYL ESTER