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(1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-(4-BUTYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
SpectraBase Compound ID HiYbrgyR9nY
InChI InChI=1S/C21H31N3O8/c1-6-7-8-17-10-24(23-22-17)18-9-16(11-29-12(2)25)19(30-13(3)26)21(32-15(5)28)20(18)31-14(4)27/h10,16,18-21H,6-9,11H2,1-5H3/t16-,18+,19-,20+,21+/m1/s1
InChIKey MHYBZNQVVOEFSQ-VLQCVTHLSA-N
Mol Weight 453.49 g/mol
Molecular Formula C21H31N3O8
Exact Mass 453.211115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIKacud8tfJ
Name (1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-(4-BUTYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 13G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N3O8
InChI InChI=1S/C21H31N3O8/c1-6-7-8-17-10-24(23-22-17)18-9-16(11-29-12(2)25)19(30-13(3)26)21(32-15(5)28)20(18)31-14(4)27/h10,16,18-21H,6-9,11H2,1-5H3/t16-,18+,19-,20+,21+/m1/s1
InChIKey MHYBZNQVVOEFSQ-VLQCVTHLSA-N
Literature Reference Author L.JI,G.Q.ZHOU,C.QIAN,X.Z.CHEN
Literature Reference Citation EUR.J.ORG.CHEM.,2014,3622(2014)
Literature Reference DOI 10.1002/ejoc.201301874
Molecular Weight 453.492 g/mol
Solvent CDCl3
Source File Reference UWIR18511