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(1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-nitrophenyl)-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-nitrophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
SpectraBase Compound ID BAg4NEaTVXJ
InChI InChI=1S/C23H26N4O11/c1-12(28)35-11-23(32)9-19(20(36-13(2)29)21(37-14(3)30)22(23)38-15(4)31)26-10-18(24-25-26)16-5-7-17(8-6-16)27(33)34/h5-8,10,19-22,32H,9,11H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey GFSFQZQJGHMUFM-HPAIXVDQSA-N
Mol Weight 534.48 g/mol
Molecular Formula C23H26N4O11
Exact Mass 534.159808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68aoYQmDA
Name (1S,2R,3S,4S,6S)-4-(Acetoxymethyl)-4-hydroxy-6-[4-(4-nitrophenyl)-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-(4-nitrophenyl)-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 C23H26N4O11
InChI InChI=1S/C23H26N4O11/c1-12(28)35-11-23(32)9-19(20(36-13(2)29)21(37-14(3)30)22(23)38-15(4)31)26-10-18(24-25-26)16-5-7-17(8-6-16)27(33)34/h5-8,10,19-22,32H,9,11H2,1-4H3/t19-,20-,21+,22-,23-/m0/s1
InChIKey GFSFQZQJGHMUFM-HPAIXVDQSA-N
Molecular Weight 534.478 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(N(=O)=O)cc1)[H])COC(=O)C
SPLASH splash10-000x-3910200000-00c23e04339b297d8ab9
Source of Spectrum U1-2014-3734-15f
Wiley ID 1740701