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CFCCTSIKLGARMK-BKTGTZMESA-N
SpectraBase Compound ID I1brURfa2ve
InChI InChI=1S/C22H21NO8/c1-26-16-4-10(5-17(27-2)21(16)28-3)18-11-6-14-15(30-9-29-14)7-12(11)20-13(8-31-23-20)19(18)22(24)25/h4-7,13,18-19H,8-9H2,1-3H3,(H,24,25)/t13-,18+,19-/m0/s1
InChIKey CFCCTSIKLGARMK-BKTGTZMESA-N
Mol Weight 427.41 g/mol
Molecular Formula C22H21NO8
Exact Mass 427.126717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hdwrdNcbB9
Name CFCCTSIKLGARMK-BKTGTZMESA-N
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21NO8
InChI InChI=1S/C22H21NO8/c1-26-16-4-10(5-17(27-2)21(16)28-3)18-11-6-14-15(30-9-29-14)7-12(11)20-13(8-31-23-20)19(18)22(24)25/h4-7,13,18-19H,8-9H2,1-3H3,(H,24,25)/t13-,18+,19-/m0/s1
InChIKey CFCCTSIKLGARMK-BKTGTZMESA-N
Literature Reference Author M.A.CASTRO,J.M.M.DELCORRAL,M.L.LOPEZ-VAZQUEZ,P.A.GARCIA,A.SA NFELICIANO,M.GORDALI
Literature Reference Citation MAGN.RES.CHEM.,35,808(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199711)35:11<808::aid-omr165>3.0.co;2-l
Molecular Weight 427.411 g/mol
Solvent CD3OD
Source File Reference UWCP3518