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YDVMPZKWUOVDDN-MFOSBRBKSA-N

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YDVMPZKWUOVDDN-MFOSBRBKSA-N
SpectraBase Compound ID 1crNKRKW08t
InChI InChI=1S/C12H18N4O6/c1-5(18)14-8-6(4-17)22-11(10(20)9(8)19)16-3-2-7(13)15-12(16)21/h2-3,6,8-11,17,19-20H,4H2,1H3,(H,14,18)(H2,13,15,21)/t6-,8-,9+,10-,11-/m0/s1
InChIKey YDVMPZKWUOVDDN-MFOSBRBKSA-N
Mol Weight 314.3 g/mol
Molecular Formula C12H18N4O6
Exact Mass 314.122634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KOmzps4Plo
Name YDVMPZKWUOVDDN-MFOSBRBKSA-N
CAS Registry Number 21209-53-0
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18N4O6
InChI InChI=1S/C12H18N4O6/c1-5(18)14-8-6(4-17)22-11(10(20)9(8)19)16-3-2-7(13)15-12(16)21/h2-3,6,8-11,17,19-20H,4H2,1H3,(H,14,18)(H2,13,15,21)/t6-,8-,9+,10-,11-/m0/s1
InChIKey YDVMPZKWUOVDDN-MFOSBRBKSA-N
Literature Reference Author M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT
Literature Reference Citation J.ORG.CHEM.,42,3289(1977)
Literature Reference DOI 10.1021/jo00440a019
Molecular Weight 314.298 g/mol
Solvent D2O
Source File Reference UWCS13021