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1,4-BIS-(HEXAHYDROPYRIMIDINIUM-2-YL)-BUTANE-OXALATE-TETRAHYDRATE

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1,4-BIS-(HEXAHYDROPYRIMIDINIUM-2-YL)-BUTANE-OXALATE-TETRAHYDRATE
SpectraBase Compound ID KoQ2K32Occg
InChI InChI=1S/C12H22N4.C2H2O4.4H2O/c1(5-11-13-7-3-8-14-11)2-6-12-15-9-4-10-16-12;3-1(4)2(5)6;;;;/h1-10H2,(H,13,14)(H,15,16);(H,3,4)(H,5,6);4*1H2
InChIKey VSYWKFWSYCGYOM-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C14H32N4O8
Exact Mass 384.222014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIhGi4eefs2
Name 1,4-BIS-(HEXAHYDROPYRIMIDINIUM-2-YL)-BUTANE-OXALATE-TETRAHYDRATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H32N4O8
InChI InChI=1S/C12H22N4.C2H2O4.4H2O/c1(5-11-13-7-3-8-14-11)2-6-12-15-9-4-10-16-12;3-1(4)2(5)6;;;;/h1-10H2,(H,13,14)(H,15,16);(H,3,4)(H,5,6);4*1H2
InChIKey VSYWKFWSYCGYOM-UHFFFAOYSA-N
Literature Reference Author M.MACHAJ,M.PACH,A.WOLEK,A.ZABRZENSKA,K.OSTROWSKA,J.KALINOWSK A-TLUSCIK,B.OLEKSYN
Literature Reference Citation MH.CHEM.,138,1273(2007)
Literature Reference DOI 10.1007/s00706-007-0683-5
Molecular Weight 384.430 g/mol
Sample ID 68646
Solvent D2O