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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID FEm1ZpG9Jxl
InChI InChI=1S/C23H24ClN3O8/c1-12(28)32-11-17-9-20(27-10-19(25-26-27)16-5-7-18(24)8-6-16)22(34-14(3)30)23(35-15(4)31)21(17)33-13(2)29/h5-10,20-23H,11H2,1-4H3/t20-,21+,22-,23-/m0/s1
InChIKey MMOWNOXHTJEJSF-BJESRGMDSA-N
Mol Weight 505.91 g/mol
Molecular Formula C23H24ClN3O8
Exact Mass 505.125192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sy1X2hooib
Name (1S,2S,3R,6S)-4-(ACETOXYMETHYL)-6-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEX-4-ENE-1,2,3-TRIYL-TRIACETATE
Compound Number 14D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24ClN3O8
InChI InChI=1S/C23H24ClN3O8/c1-12(28)32-11-17-9-20(27-10-19(25-26-27)16-5-7-18(24)8-6-16)22(34-14(3)30)23(35-15(4)31)21(17)33-13(2)29/h5-10,20-23H,11H2,1-4H3/t20-,21+,22-,23-/m0/s1
InChIKey MMOWNOXHTJEJSF-BJESRGMDSA-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 505.912 g/mol
Solvent CDCl3
Source File Reference UWIR18518