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3,3'-(BUTANE-1,4-DIYL)-BIS-[5-(PYRROLIDIN-1-YL-METHYL)-IMIDAZOLIDINE-2,4-DIONE]-DIHYDROCHLORIDE
SpectraBase Compound ID rv8ZOPepxa
InChI InChI=1S/C20H32N6O4.2ClH/c27-17-15(13-23-7-1-2-8-23)21-19(29)25(17)11-5-6-12-26-18(28)16(22-20(26)30)14-24-9-3-4-10-24;;/h15-16H,1-14H2,(H,21,29)(H,22,30);2*1H
InChIKey XDPZEIRNKANNIT-UHFFFAOYSA-N
Mol Weight 493.44 g/mol
Molecular Formula C20H34Cl2N6O4
Exact Mass 492.201859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrTSWgPRRVR
Name 3,3'-(BUTANE-1,4-DIYL)-BIS-[5-(PYRROLIDIN-1-YL-METHYL)-IMIDAZOLIDINE-2,4-DIONE]-DIHYDROCHLORIDE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34Cl2N6O4
InChI InChI=1S/C20H32N6O4.2ClH/c27-17-15(13-23-7-1-2-8-23)21-19(29)25(17)11-5-6-12-26-18(28)16(22-20(26)30)14-24-9-3-4-10-24;;/h15-16H,1-14H2,(H,21,29)(H,22,30);2*1H
InChIKey XDPZEIRNKANNIT-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 493.434 g/mol
Solvent DMSO-D6
Source File Reference UWBT13870