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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID CzBFuB0aZfQ
InChI InChI=1S/C24H27N3O9/c1-13(28)33-12-18-10-21(27-11-20(25-26-27)17-6-8-19(32-5)9-7-17)23(35-15(3)30)24(36-16(4)31)22(18)34-14(2)29/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey ZJACIZIDPIXTGW-KIHHCIJBSA-N
Mol Weight 501.49 g/mol
Molecular Formula C24H27N3O9
Exact Mass 501.174729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sMhluzgK8
Name (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]cyclohex-4-ene-1,2,3-triyl Triacetate
Alternate Name(s) (1S,2S,3R,6S)-4-(acetoxymethyl)-6-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl triacetate
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Formula C24H27N3O9
InChI InChI=1S/C24H27N3O9/c1-13(28)33-12-18-10-21(27-11-20(25-26-27)17-6-8-19(32-5)9-7-17)23(35-15(3)30)24(36-16(4)31)22(18)34-14(2)29/h6-11,21-24H,12H2,1-5H3/t21-,22+,23-,24-/m0/s1
InChIKey ZJACIZIDPIXTGW-KIHHCIJBSA-N
Molecular Weight 501.492 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)OC
SPLASH splash10-05te-2931000000-d8013ed9272521382763
Source of Spectrum U1-2014-3631-14c
Wiley ID 1740709