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(1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate

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

(1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID BAg4NEaTVXJ
InChI InChI=1S/C23H26N4O11/c1-12(28)35-11-23(32)9-19(20(36-13(2)29)21(37-14(3)30)22(23)38-15(4)31)26-10-18(24-25-26)16-5-7-17(8-6-16)27(33)34/h5-8,10,19-22,32H,9,11H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey GFSFQZQJGHMUFM-HPAIXVDQSA-N
Mol Weight 534.48 g/mol
Molecular Formula C23H26N4O11
Exact Mass 534.159808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlwQXrY12RN
Name (1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-4-HYDROXY-6-[4-(4-NITROPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 15F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N4O11
InChI InChI=1S/C23H26N4O11/c1-12(28)35-11-23(32)9-19(20(36-13(2)29)21(37-14(3)30)22(23)38-15(4)31)26-10-18(24-25-26)16-5-7-17(8-6-16)27(33)34/h5-8,10,19-22,32H,9,11H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey GFSFQZQJGHMUFM-HPAIXVDQSA-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 534.480 g/mol
Solvent DMSO-D6
Source File Reference UWIR18529