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(1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-methylphenyl)-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-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID LMQ8RUOThYc
InChI InChI=1S/C24H29N3O9/c1-13-6-8-18(9-7-13)19-11-27(26-25-19)20-10-24(32,12-33-14(2)28)23(36-17(5)31)22(35-16(4)30)21(20)34-15(3)29/h6-9,11,20-23,32H,10,12H2,1-5H3/t20-,21-,22+,23-,24-/m0/s1
InChIKey ROLVWLNHYUMCRY-LKTXNROYSA-N
Mol Weight 503.51 g/mol
Molecular Formula C24H29N3O9
Exact Mass 503.19038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrsJ2ZqJjgV
Name (1S,2R,3S,4S,6S)-4-(ACETOXYMETHYL)-4-HYDROXY-6-[4-(4-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29N3O9
InChI InChI=1S/C24H29N3O9/c1-13-6-8-18(9-7-13)19-11-27(26-25-19)20-10-24(32,12-33-14(2)28)23(36-17(5)31)22(35-16(4)30)21(20)34-15(3)29/h6-9,11,20-23,32H,10,12H2,1-5H3/t20-,21-,22+,23-,24-/m0/s1
InChIKey ROLVWLNHYUMCRY-LKTXNROYSA-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 503.509 g/mol
Solvent CDCl3
Source File Reference UWIR18525