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(1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID hZwfcvThlI
InChI InChI=1S/C23H26FN3O8/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/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey QEOYOTJWCRYRMR-IDINPZAYSA-N
Mol Weight 491.47 g/mol
Molecular Formula C23H26FN3O8
Exact Mass 491.170393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNEIXETamzj
Name (1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
Alternate Name(s) (1S,2S,3R,4R,6S)-4-(acetoxymethyl)-6-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)cyclohexane-1,2,3-triyl triacetate
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Formula C23H26FN3O8
InChI InChI=1S/C23H26FN3O8/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/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey QEOYOTJWCRYRMR-IDINPZAYSA-N
Molecular Weight 491.472 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(cc1)F
SPLASH splash10-0096-3980500000-eb1728a6dc7d56dad0b7
Source of Spectrum U1-2014-3630-13e
Wiley ID 1740713