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(1R,2S,3R,4S,5R,6R)-1-(ACETOXYMETHYL)-5-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-7-OXA-BICYCLO-[4.1.0]-HEPTANE-2,3,4-TRIYL-TRIACETATE

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(1R,2S,3R,4S,5R,6R)-1-(ACETOXYMETHYL)-5-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-7-OXA-BICYCLO-[4.1.0]-HEPTANE-2,3,4-TRIYL-TRIACETATE
SpectraBase Compound ID 7RbbHkW8tKU
InChI InChI=1S/C23H24ClN3O9/c1-11(28)32-10-23-21(36-23)18(27-9-17(25-26-27)15-5-7-16(24)8-6-15)19(33-12(2)29)20(34-13(3)30)22(23)35-14(4)31/h5-9,18-22H,10H2,1-4H3/t18-,19+,20-,21-,22+,23-/m1/s1
InChIKey RHGDQLDYHUMFTO-UKIRVEGOSA-N
Mol Weight 521.91 g/mol
Molecular Formula C23H24ClN3O9
Exact Mass 521.120107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2a6qrv0qosy
Name (1R,2S,3R,4S,5R,6R)-1-(ACETOXYMETHYL)-5-[4-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-7-OXA-BICYCLO-[4.1.0]-HEPTANE-2,3,4-TRIYL-TRIACETATE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24ClN3O9
InChI InChI=1S/C23H24ClN3O9/c1-11(28)32-10-23-21(36-23)18(27-9-17(25-26-27)15-5-7-16(24)8-6-15)19(33-12(2)29)20(34-13(3)30)22(23)35-14(4)31/h5-9,18-22H,10H2,1-4H3/t18-,19+,20-,21-,22+,23-/m1/s1
InChIKey RHGDQLDYHUMFTO-UKIRVEGOSA-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 521.911 g/mol
Solvent CDCl3
Source File Reference UWIR18533