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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID FEm1ZpG9Jxl
InChI InChI=1S/C23H24ClN3O8/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 MMOWNOXHTJEJSF-BJESRGMDSA-N
Mol Weight 505.91 g/mol
Molecular Formula C23H24ClN3O8
Exact Mass 505.125192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CusTdX58Ddl
Name (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
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Formula C23H24ClN3O8
InChI InChI=1S/C23H24ClN3O8/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 MMOWNOXHTJEJSF-BJESRGMDSA-N
Molecular Weight 505.911 g/mol
SMILES c1(nn[n](c1)[C@@]1([C@@]([C@@](OC(=O)C)([C@@](C(=C1)COC(=O)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])-c1ccc(cc1)Cl
SPLASH splash10-0gi6-3900000000-17a870f9bb5466dcd909
Source of Spectrum U1-2014-3632-14d
Synonyms (1S,2S,3R,6S)-4-(acetoxymethyl)-6-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl triacetate
Wiley ID 1740708