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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-{[4-(tert-butyl)-phenoxy]methyl}-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-{[4-(tert-butyl)-phenoxy]methyl}-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID CqPV1Km1N0g
InChI InChI=1S/C28H35N3O9/c1-16(32)36-14-20-12-24(26(39-18(3)34)27(40-19(4)35)25(20)38-17(2)33)31-13-22(29-30-31)15-37-23-10-8-21(9-11-23)28(5,6)7/h8-13,24-27H,14-15H2,1-7H3/t24-,25+,26-,27-/m0/s1
InChIKey UGIQZWDNPRGUJL-XUJYPJAKSA-N
Mol Weight 557.6 g/mol
Molecular Formula C28H35N3O9
Exact Mass 557.23733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SuedSeaZ6n
Name (1S,2S,3R,6S)-4-(ACETOXYMETHYL)-6-[4-[[4-(TERT.-BUTYL)-PHENOXY]-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEX-4-ENE-1,2,3-TRIYL-TRIACETATE
Compound Number 14I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35N3O9
InChI InChI=1S/C28H35N3O9/c1-16(32)36-14-20-12-24(26(39-18(3)34)27(40-19(4)35)25(20)38-17(2)33)31-13-22(29-30-31)15-37-23-10-8-21(9-11-23)28(5,6)7/h8-13,24-27H,14-15H2,1-7H3/t24-,25+,26-,27-/m0/s1
InChIKey UGIQZWDNPRGUJL-XUJYPJAKSA-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 557.601 g/mol
Solvent CDCl3
Source File Reference UWIR18523