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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-pentyl-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID DwKQAclNuB9
InChI InChI=1S/C22H31N3O8/c1-6-7-8-9-18-11-25(24-23-18)19-10-17(12-30-13(2)26)20(31-14(3)27)22(33-16(5)29)21(19)32-15(4)28/h10-11,19-22H,6-9,12H2,1-5H3/t19-,20+,21-,22-/m0/s1
InChIKey RISBWSAKMODLMK-LRSLUSHPSA-N
Mol Weight 465.5 g/mol
Molecular Formula C22H31N3O8
Exact Mass 465.211115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXr0VJJzIUX
Name (1S,2S,3R,6S)-4-(ACETOXYMETHYL)-6-(4-PENTYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEX-4-ENE-1,2,3-TRIYL-TRIACETATE
Compound Number 14H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31N3O8
InChI InChI=1S/C22H31N3O8/c1-6-7-8-9-18-11-25(24-23-18)19-10-17(12-30-13(2)26)20(31-14(3)27)22(33-16(5)29)21(19)32-15(4)28/h10-11,19-22H,6-9,12H2,1-5H3/t19-,20+,21-,22-/m0/s1
InChIKey RISBWSAKMODLMK-LRSLUSHPSA-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 465.503 g/mol
Solvent CDCl3
Source File Reference UWIR18522