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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-butyl-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID GuExCMiIM3p
InChI InChI=1S/C21H29N3O8/c1-6-7-8-17-10-24(23-22-17)18-9-16(11-29-12(2)25)19(30-13(3)26)21(32-15(5)28)20(18)31-14(4)27/h9-10,18-21H,6-8,11H2,1-5H3/t18-,19+,20-,21-/m0/s1
InChIKey MQSLQMAISAIZPG-WOZUAGRISA-N
Mol Weight 451.48 g/mol
Molecular Formula C21H29N3O8
Exact Mass 451.195465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kqzptm9XC1f
Name (1S,2S,3R,6S)-4-(ACETOXYMETHYL)-6-(4-BUTYL-1H-1,2,3-TRIAZOL-1-YL)-CYCLOHEX-4-ENE-1,2,3-TRIYL-TRIACETATE
Compound Number 14G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29N3O8
InChI InChI=1S/C21H29N3O8/c1-6-7-8-17-10-24(23-22-17)18-9-16(11-29-12(2)25)19(30-13(3)26)21(32-15(5)28)20(18)31-14(4)27/h9-10,18-21H,6-8,11H2,1-5H3/t18-,19+,20-,21-/m0/s1
InChIKey MQSLQMAISAIZPG-WOZUAGRISA-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 451.477 g/mol
Solvent CDCl3
Source File Reference UWIR18521