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(1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-[4-(PHENOXYMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
SpectraBase Compound ID BJepPAwHpSo
InChI InChI=1S/C24H29N3O9/c1-14(28)32-12-18-10-21(27-11-19(25-26-27)13-33-20-8-6-5-7-9-20)23(35-16(3)30)24(36-17(4)31)22(18)34-15(2)29/h5-9,11,18,21-24H,10,12-13H2,1-4H3/t18-,21+,22-,23+,24+/m1/s1
InChIKey FRUJDQSFODMHGU-FBHBTBFLSA-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 6UBZVoHNMHn
Name (1S,2S,3R,4R,6S)-4-(ACETOXYMETHYL)-6-[4-(PHENOXYMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-CYCLOHEXANE-1,2,3-TRIYL-TRIACETATE
Compound Number 13I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29N3O9
InChI InChI=1S/C24H29N3O9/c1-14(28)32-12-18-10-21(27-11-19(25-26-27)13-33-20-8-6-5-7-9-20)23(35-16(3)30)24(36-17(4)31)22(18)34-15(2)29/h5-9,11,18,21-24H,10,12-13H2,1-4H3/t18-,21+,22-,23+,24+/m1/s1
InChIKey FRUJDQSFODMHGU-FBHBTBFLSA-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 UWIR18513