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PBGBADORVLQASN-LOSPZJHSSA-N
SpectraBase Compound ID 1yz2VY076Hu
InChI InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m0/s1
InChIKey PBGBADORVLQASN-LOSPZJHSSA-N
Mol Weight 274.23 g/mol
Molecular Formula C10H14N2O7
Exact Mass 274.080101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2l00cFvOYUH
Name PBGBADORVLQASN-LOSPZJHSSA-N
CAS Registry Number 3180-77-6
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14N2O7
InChI InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m0/s1
InChIKey PBGBADORVLQASN-LOSPZJHSSA-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 274.230 g/mol
Solvent D2O
Source File Reference UWCS13015