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(Z)-METHYLENE-DANTOIN-DIMER;(E)-METHYLENE-DANTOIN-DIMER;MIXTURE
SpectraBase Compound ID 1PYLX3IAIoW
InChI InChI=1S/2C20H16N4O4/c2*1-20(17(26)24(19(28)22-20)14-10-6-3-7-11-14)12-15-16(25)23(18(27)21-15)13-8-4-2-5-9-13/h2*2-12H,1H3,(H,21,27)(H,22,28)/b15-12+;15-12-
InChIKey WHYSNSCYWLGQKA-YMAPGUGASA-N
Mol Weight 752.74 g/mol
Molecular Formula C40H32N8O8
Exact Mass 752.23431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 560RrbQSmDE
Name (Z)-METHYLENE-DANTOIN-DIMER;(E)-METHYLENE-DANTOIN-DIMER;MIXTURE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H32N8O8
InChI InChI=1S/2C20H16N4O4/c2*1-20(17(26)24(19(28)22-20)14-10-6-3-7-11-14)12-15-16(25)23(18(27)21-15)13-8-4-2-5-9-13/h2*2-12H,1H3,(H,21,27)(H,22,28)/b15-12+;15-12-
InChIKey WHYSNSCYWLGQKA-YMAPGUGASA-N
Literature Reference Author F.FUJISAKI,K.SHOJI,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,57,1415(2009)
Literature Reference DOI 10.1248/cpb.57.1415
Molecular Weight 752.743 g/mol
Sample ID 3244
Solvent DMSO-D6