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N1,N3-BIS-(BENZYL-CARBAMOTHIOYL)-4,6-DIHYDROXY-5-METHYL-ISOPHTHALAMIDE

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N1,N3-BIS-(BENZYL-CARBAMOTHIOYL)-4,6-DIHYDROXY-5-METHYL-ISOPHTHALAMIDE
SpectraBase Compound ID K1pHEr2Vuqe
InChI InChI=1S/C25H24N4O4S2/c1-15-20(30)18(22(32)28-24(34)26-13-16-8-4-2-5-9-16)12-19(21(15)31)23(33)29-25(35)27-14-17-10-6-3-7-11-17/h2-12,30-31H,13-14H2,1H3,(H2,26,28,32,34)(H2,27,29,33,35)
InChIKey KYROBGWFHIKCDW-UHFFFAOYSA-N
Mol Weight 508.61 g/mol
Molecular Formula C25H24N4O4S2
Exact Mass 508.123898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzcbG0AWDUy
Name N1,N3-BIS-(BENZYL-CARBAMOTHIOYL)-4,6-DIHYDROXY-5-METHYL-ISOPHTHALAMIDE
Compound Number 20C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H24N4O4S2
InChI InChI=1S/C25H24N4O4S2/c1-15-20(30)18(22(32)28-24(34)26-13-16-8-4-2-5-9-16)12-19(21(15)31)23(33)29-25(35)27-14-17-10-6-3-7-11-17/h2-12,30-31H,13-14H2,1H3,(H2,26,28,32,34)(H2,27,29,33,35)
InChIKey KYROBGWFHIKCDW-UHFFFAOYSA-N
Literature Reference Author T.BELZ,S.IHMAID,J.AL-RAWI,S.PETROVSKI
Literature Reference Citation INT.J.MED.CH.,2013,436397(2013)
Molecular Weight 508.610 g/mol
Solvent DMSO-D6
Source File Reference UWLU976445