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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate

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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID HyXRfRbsRXy
InChI InChI=1S/C24H27N3O8/c1-13-6-8-18(9-7-13)20-11-27(26-25-20)21-10-19(12-32-14(2)28)22(33-15(3)29)24(35-17(5)31)23(21)34-16(4)30/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey NZPBPTGQWXJAHU-KIHHCIJBSA-N
Mol Weight 485.49 g/mol
Molecular Formula C24H27N3O8
Exact Mass 485.179815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHmPfnLJzvs
Name (1S,2S,3R,6S)-4-(ACETOXYMETHYL)-6-[4-(4-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEX-4-ENE-1,2,3-TRIYL-TRIACETATE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H27N3O8
InChI InChI=1S/C24H27N3O8/c1-13-6-8-18(9-7-13)20-11-27(26-25-20)21-10-19(12-32-14(2)28)22(33-15(3)29)24(35-17(5)31)23(21)34-16(4)30/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey NZPBPTGQWXJAHU-KIHHCIJBSA-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 485.494 g/mol
Solvent CDCl3
Source File Reference UWIR18516