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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID CzBFuB0aZfQ
InChI InChI=1S/C24H27N3O9/c1-13(28)33-12-18-10-21(27-11-20(25-26-27)17-6-8-19(32-5)9-7-17)23(35-15(3)30)24(36-16(4)31)22(18)34-14(2)29/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey ZJACIZIDPIXTGW-KIHHCIJBSA-N
Mol Weight 501.49 g/mol
Molecular Formula C24H27N3O9
Exact Mass 501.174729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oLuYFwGZ1h
Name (1S,2S,3R,6S)-4-(ACETOXYMETHYL)-6-[4-(4-METHOXYPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEX-4-ENE-1,2,3-TRIYL-TRIACETATE
Compound Number 14C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H27N3O9
InChI InChI=1S/C24H27N3O9/c1-13(28)33-12-18-10-21(27-11-20(25-26-27)17-6-8-19(32-5)9-7-17)23(35-15(3)30)24(36-16(4)31)22(18)34-14(2)29/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey ZJACIZIDPIXTGW-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 501.493 g/mol
Solvent CDCl3
Source File Reference UWIR18517