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(1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-methoxyphenyl)-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-methoxyphenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID LRbedKjcLJ1
InChI InChI=1S/C24H29N3O9/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/h6-9,11,18,21-24H,10,12H2,1-5H3/t18-,21+,22-,23+,24+/m1/s1
InChIKey WOVNTJCEZYGRLU-FBHBTBFLSA-N
Mol Weight 503.51 g/mol
Molecular Formula C24H29N3O9
Exact Mass 503.19038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QezJrkrVfT
Name (1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
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Formula C24H29N3O9
InChI InChI=1S/C24H29N3O9/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/h6-9,11,18,21-24H,10,12H2,1-5H3/t18-,21+,22-,23+,24+/m1/s1
InChIKey WOVNTJCEZYGRLU-FBHBTBFLSA-N
Molecular Weight 503.508 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)OC
SPLASH splash10-0ued-4960410000-5eb94785301af8a10327
Source of Spectrum U1-2014-3629-13c
Synonyms (1S,2S,3R,4R,6S)-4-(acetoxymethyl)-6-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)cyclohexane-1,2,3-triyl triacetate
Wiley ID 1740715