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(1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-6-(4-BUTYL-1H-1,2,3-TRIAZOL-1-YL)-4-HYDROXY-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
SpectraBase Compound ID eipPk2vZr4
InChI InChI=1S/C21H31N3O9/c1-6-7-8-16-10-24(23-22-16)17-9-21(29,11-30-12(2)25)20(33-15(5)28)19(32-14(4)27)18(17)31-13(3)26/h10,17-20,29H,6-9,11H2,1-5H3/t17-,18-,19+,20-,21-/m0/s1
InChIKey AXUYXUWVNWBULU-WHZJULEDSA-N
Mol Weight 469.49 g/mol
Molecular Formula C21H31N3O9
Exact Mass 469.20603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQH873UHkk0
Name (1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-6-(4-BUTYL-1H-1,2,3-TRIAZOL-1-YL)-4-HYDROXY-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 15G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N3O9
InChI InChI=1S/C21H31N3O9/c1-6-7-8-16-10-24(23-22-16)17-9-21(29,11-30-12(2)25)20(33-15(5)28)19(32-14(4)27)18(17)31-13(3)26/h10,17-20,29H,6-9,11H2,1-5H3/t17-,18-,19+,20-,21-/m0/s1
InChIKey AXUYXUWVNWBULU-WHZJULEDSA-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 469.492 g/mol
Solvent CDCl3
Source File Reference UWIR18530