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UALIWFYMJMVXDB-RKOFLFEYSA-N
SpectraBase Compound ID 44kxjjz6gaU
InChI InChI=1S/C18H22N2O11/c1-8(21)27-7-12-14(28-9(2)22)15(29-10(3)23)16(30-11(4)24)17(31-12)20-6-5-13(25)19-18(20)26/h5-6,12,14-17H,7H2,1-4H3,(H,19,25,26)/t12-,14-,15+,16-,17-/m0/s1
InChIKey UALIWFYMJMVXDB-RKOFLFEYSA-N
Mol Weight 442.38 g/mol
Molecular Formula C18H22N2O11
Exact Mass 442.12236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nNzYdYMh9K
Name UALIWFYMJMVXDB-RKOFLFEYSA-N
CAS Registry Number 3180-73-2
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O11
InChI InChI=1S/C18H22N2O11/c1-8(21)27-7-12-14(28-9(2)22)15(29-10(3)23)16(30-11(4)24)17(31-12)20-6-5-13(25)19-18(20)26/h5-6,12,14-17H,7H2,1-4H3,(H,19,25,26)/t12-,14-,15+,16-,17-/m0/s1
InChIKey UALIWFYMJMVXDB-RKOFLFEYSA-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 442.379 g/mol
Solvent CDCl3
Source File Reference UWCS13016