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(1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID LMQ8RUOThYc
InChI InChI=1S/C24H29N3O9/c1-13-6-8-18(9-7-13)19-11-27(26-25-19)20-10-24(32,12-33-14(2)28)23(36-17(5)31)22(35-16(4)30)21(20)34-15(3)29/h6-9,11,20-23,32H,10,12H2,1-5H3/t20-,21-,22+,23-,24-/m0/s1
InChIKey ROLVWLNHYUMCRY-LKTXNROYSA-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 6VLuTioVwzf
Name (1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
Alternate Name(s) (1S,2R,3S,4S,6S)-4-(acetoxymethyl)-4-hydroxy-6-(4-(p-tolyl)-1H-1,2,3-triazol-1-yl)cyclohexane-1,2,3-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29N3O9
InChI InChI=1S/C24H29N3O9/c1-13-6-8-18(9-7-13)19-11-27(26-25-19)20-10-24(32,12-33-14(2)28)23(36-17(5)31)22(35-16(4)30)21(20)34-15(3)29/h6-9,11,20-23,32H,10,12H2,1-5H3/t20-,21-,22+,23-,24-/m0/s1
InChIKey ROLVWLNHYUMCRY-LKTXNROYSA-N
Molecular Weight 503.508 g/mol
SMILES O[C@@]1(C[C@@]([C@@]([C@@](OC(=O)C)([C@@]1(OC(=O)C)[H])[H])(OC(=O)C)[H])([n]1nnc(c1)-c1ccc(cc1)C)[H])COC(=O)C
SPLASH splash10-0ff3-3920110000-ba81c9cfcdc7e1bb5427
Source of Spectrum U1-2014-3633-15b
Wiley ID 1740702