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KAOIOEODBSDIJN-BTCGTBLPSA-N

View entire compound with spectra: 1 NMR

KAOIOEODBSDIJN-BTCGTBLPSA-N
SpectraBase Compound ID GedIGh6LTRj
InChI InChI=1S/C27H28N2O3.ClHO4/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;2-1(3,4)5/h8-15,28H,6-7H2,1-5H3;(H,2,3,4,5)/b29-23+;
InChIKey KAOIOEODBSDIJN-BTCGTBLPSA-N
Mol Weight 528.99 g/mol
Molecular Formula C27H29ClN2O7
Exact Mass 528.166329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LM5bL1EdoED
Name KAOIOEODBSDIJN-BTCGTBLPSA-N
Compound Number 13
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29ClN2O7
InChI InChI=1S/C27H28N2O3.ClHO4/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;2-1(3,4)5/h8-15,28H,6-7H2,1-5H3;(H,2,3,4,5)/b29-23+;
InChIKey KAOIOEODBSDIJN-BTCGTBLPSA-N
Literature Reference Author S.S.RAMOS,A.F.VILHENA,L.SANTOS,P.ALMEIDA
Literature Reference Citation MAGN.RES.CHEM.,38,475(2000)
Literature Reference DOI 10.1002/1097-458x(200006)38:6<475::aid-mrc662>3.0.co;2-x
Molecular Weight 528.989 g/mol
Solvent CDCl3