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1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate

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1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID Ddac5EfRNOH
InChI InChI=1S/C23H24FN3O8/c1-12(28)32-11-17-9-20(27-10-19(25-26-27)16-5-7-18(24)8-6-16)22(34-14(3)30)23(35-15(4)31)21(17)33-13(2)29/h5-10,20-23H,11H2,1-4H3/t20-,21+,22-,23-/m0/s1
InChIKey QINOCTKREYSFET-BJESRGMDSA-N
Mol Weight 489.46 g/mol
Molecular Formula C23H24FN3O8
Exact Mass 489.154743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LORSTkVwjJm
Name 1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
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Formula C23H24FN3O8
InChI InChI=1S/C23H24FN3O8/c1-12(28)32-11-17-9-20(27-10-19(25-26-27)16-5-7-18(24)8-6-16)22(34-14(3)30)23(35-15(4)31)21(17)33-13(2)29/h5-10,20-23H,11H2,1-4H3/t20-,21+,22-,23-/m0/s1
InChIKey QINOCTKREYSFET-BJESRGMDSA-N
Molecular Weight 489.456 g/mol
SMILES c1(nn[n](c1)[C@@]1([C@@]([C@]([C@](OC(=O)C)(C(=C1)COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])-c1ccc(cc1)F
SPLASH splash10-060u-1910000000-543a66d4275ff8554712
Source of Spectrum U1-2014-3632-14e
Synonyms (1S,2S,3R,6S)-4-(acetoxymethyl)-6-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl triacetate
Wiley ID 1740707