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3,3'-(OCTANE-1,8-DIYL)-BIS-[5-(PYRROLIDIN-1-YL-METHYL)-IMIDAZOLIDINE-2,4-DIONE]-DIHYDROCHLORIDE
SpectraBase Compound ID 4rwV82FcxbR
InChI InChI=1S/C24H40N6O4.2ClH/c31-21-19(17-27-11-7-8-12-27)25-23(33)29(21)15-5-3-1-2-4-6-16-30-22(32)20(26-24(30)34)18-28-13-9-10-14-28;;/h19-20H,1-18H2,(H,25,33)(H,26,34);2*1H
InChIKey MCPYQLSBEVQSBB-UHFFFAOYSA-N
Mol Weight 549.54 g/mol
Molecular Formula C24H42Cl2N6O4
Exact Mass 548.264459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HL2u3YFqPhK
Name 3,3'-(OCTANE-1,8-DIYL)-BIS-[5-(PYRROLIDIN-1-YL-METHYL)-IMIDAZOLIDINE-2,4-DIONE]-DIHYDROCHLORIDE
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H42Cl2N6O4
InChI InChI=1S/C24H40N6O4.2ClH/c31-21-19(17-27-11-7-8-12-27)25-23(33)29(21)15-5-3-1-2-4-6-16-30-22(32)20(26-24(30)34)18-28-13-9-10-14-28;;/h19-20H,1-18H2,(H,25,33)(H,26,34);2*1H
InChIKey MCPYQLSBEVQSBB-UHFFFAOYSA-N
Literature Reference Author F.FUJISAKI,H.AKI,A.NAITO,E.FUKAMI,N.KASHIGE,F.MIAKE,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,62,429(2014)
Literature Reference DOI 10.1248/cpb.c14-00017
Molecular Weight 549.541 g/mol
Solvent DMSO-D6
Source File Reference UWBT13874