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(1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-4-HYDROXY-6-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
SpectraBase Compound ID DJmxd5CPE5z
InChI InChI=1S/C23H27N3O9/c1-13(27)32-12-23(31)10-19(26-11-18(24-25-26)17-8-6-5-7-9-17)20(33-14(2)28)21(34-15(3)29)22(23)35-16(4)30/h5-9,11,19-22,31H,10,12H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey SFVCIJQWRIAUPD-HPAIXVDQSA-N
Mol Weight 489.48 g/mol
Molecular Formula C23H27N3O9
Exact Mass 489.174729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qzQWi1ELxF
Name (1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-4-HYDROXY-6-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27N3O9
InChI InChI=1S/C23H27N3O9/c1-13(27)32-12-23(31)10-19(26-11-18(24-25-26)17-8-6-5-7-9-17)20(33-14(2)28)21(34-15(3)29)22(23)35-16(4)30/h5-9,11,19-22,31H,10,12H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey SFVCIJQWRIAUPD-HPAIXVDQSA-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 489.482 g/mol
Solvent CDCl3
Source File Reference UWIR18524