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(1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID 1nkTIEC01LK
InChI InChI=1S/C23H26N4O10/c1-12(28)34-11-17-9-20(22(36-14(3)30)23(37-15(4)31)21(17)35-13(2)29)26-10-19(24-25-26)16-5-7-18(8-6-16)27(32)33/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey FZOCGQVKLXYDND-IDINPZAYSA-N
Mol Weight 518.48 g/mol
Molecular Formula C23H26N4O10
Exact Mass 518.164893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZUyN5zOpAP
Name (1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-[4-(4-NITROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 13F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N4O10
InChI InChI=1S/C23H26N4O10/c1-12(28)34-11-17-9-20(22(36-14(3)30)23(37-15(4)31)21(17)35-13(2)29)26-10-19(24-25-26)16-5-7-18(8-6-16)27(32)33/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey FZOCGQVKLXYDND-IDINPZAYSA-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 518.480 g/mol
Solvent DMSO-D6
Source File Reference UWIR18510