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

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(1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID 1nkTIEC01LK
InChI InChI=1S/C23H26N4O10/c1-12(28)34-11-17-9-20(22(36-14(3)30)23(37-15(4)31)21(17)35-13(2)29)26-10-19(24-25-26)16-5-7-18(8-6-16)27(32)33/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey FZOCGQVKLXYDND-IDINPZAYSA-N
Mol Weight 518.48 g/mol
Molecular Formula C23H26N4O10
Exact Mass 518.164893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWp3UiLUTPI
Name (1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
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Formula C23H26N4O10
InChI InChI=1S/C23H26N4O10/c1-12(28)34-11-17-9-20(22(36-14(3)30)23(37-15(4)31)21(17)35-13(2)29)26-10-19(24-25-26)16-5-7-18(8-6-16)27(32)33/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey FZOCGQVKLXYDND-IDINPZAYSA-N
Molecular Weight 518.479 g/mol
SMILES c1(nn[n](c1)[C@@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](C1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])-c1ccc(N(=O)=O)cc1
SPLASH splash10-05r3-2930100000-6c15b626054c1fbb6ba8
Source of Spectrum U1-2014-3630-13f
Synonyms (1S,2S,3R,4R,6S)-4-(acetoxymethyl)-6-(4-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl)cyclohexane-1,2,3-triyl triacetate
Wiley ID 1740712