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(1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-6-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-4-HYDROXY-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE

View entire compound with spectra: 1 NMR

(1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-6-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-4-HYDROXY-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
SpectraBase Compound ID H1vGPW2daRw
InChI InChI=1S/C23H26ClN3O9/c1-12(28)33-11-23(32)9-19(27-10-18(25-26-27)16-5-7-17(24)8-6-16)20(34-13(2)29)21(35-14(3)30)22(23)36-15(4)31/h5-8,10,19-22,32H,9,11H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey JINLCMFEYLNVFF-HPAIXVDQSA-N
Mol Weight 523.93 g/mol
Molecular Formula C23H26ClN3O9
Exact Mass 523.135757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bptNLfREBW
Name (1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-6-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-4-HYDROXY-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 15D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26ClN3O9
InChI InChI=1S/C23H26ClN3O9/c1-12(28)33-11-23(32)9-19(27-10-18(25-26-27)16-5-7-17(24)8-6-16)20(34-13(2)29)21(35-14(3)30)22(23)36-15(4)31/h5-8,10,19-22,32H,9,11H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey JINLCMFEYLNVFF-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 523.927 g/mol
Solvent CDCl3
Source File Reference UWIR18527