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(1R,2S,3R,4S,5R,6R)-1-(Acetoxymethyl)-5-(4-butyl-1H-1,2,3-triazol-1-yl)-7-oxa-bicyclo[4.1.0]heptane-2,3,4-triyl Triacetate

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

(1R,2S,3R,4S,5R,6R)-1-(Acetoxymethyl)-5-(4-butyl-1H-1,2,3-triazol-1-yl)-7-oxa-bicyclo[4.1.0]heptane-2,3,4-triyl Triacetate
SpectraBase Compound ID 86qvxc6B0RK
InChI InChI=1S/C21H29N3O9/c1-6-7-8-15-9-24(23-22-15)16-17(30-12(3)26)18(31-13(4)27)20(32-14(5)28)21(19(16)33-21)10-29-11(2)25/h9,16-20H,6-8,10H2,1-5H3/t16-,17+,18-,19-,20+,21-/m1/s1
InChIKey NERXIBDICHDLRH-WCAYHLDQSA-N
Mol Weight 467.48 g/mol
Molecular Formula C21H29N3O9
Exact Mass 467.19038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LORjXiOtG7a
Name (1R,2S,3R,4S,5R,6R)-1-(ACETOXYMETHYL)-5-(4-BUTYL-1H-1,2,3-TRIAZOL-1-YL)-7-OXA-BICYCLO-[4.1.0]-HEPTANE-2,3,4-TRIYL-TRIACETATE
Compound Number 16C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29N3O9
InChI InChI=1S/C21H29N3O9/c1-6-7-8-15-9-24(23-22-15)16-17(30-12(3)26)18(31-13(4)27)20(32-14(5)28)21(19(16)33-21)10-29-11(2)25/h9,16-20H,6-8,10H2,1-5H3/t16-,17+,18-,19-,20+,21-/m1/s1
InChIKey NERXIBDICHDLRH-WCAYHLDQSA-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 467.476 g/mol
Solvent CDCl3
Source File Reference UWIR18534