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1-[(3aR,5S,6S,6aR)-5-[(1R)-2-acetoxy-1-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester

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

1-[(3aR,5S,6S,6aR)-5-[(1R)-2-acetoxy-1-hydroxy-ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID HHa8taTKFtL
InChI InChI=1S/C19H27N3O10/c1-6-27-16(25)11-12(17(26)28-7-2)22(21-20-11)13-14(10(24)8-29-9(3)23)30-18-15(13)31-19(4,5)32-18/h10,13-15,18,24H,6-8H2,1-5H3/t10-,13+,14-,15-,18-/m1/s1
InChIKey AZXMWCRJAYPTDQ-PGSQKUSISA-N
Mol Weight 457.44 g/mol
Molecular Formula C19H27N3O10
Exact Mass 457.169644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWJuGCntr3z
Name 1-[(3ar,5S,6S,6ar)-5-[(1R)-2-Acetoxy-1-hydroxy-ethyl]-2,2-dimethyl-3A,5,6,6A-tetrahydrofuro[2,3-D][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.169644071 u
Formula C19H27N3O10
InChI InChI=1S/C19H27N3O10/c1-6-27-16(25)11-12(17(26)28-7-2)22(21-20-11)13-14(10(24)8-29-9(3)23)30-18-15(13)31-19(4,5)32-18/h10,13-15,18,24H,6-8H2,1-5H3/t10-,13+,14-,15-,18-/m1/s1
InChIKey AZXMWCRJAYPTDQ-PGSQKUSISA-N
Molecular Weight 457.436 g/mol
SMILES [C@]1(N2C(=C(C(=O)OCC)N=N2)C(=O)OCC)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@](COC(=O)C)(O)[H])[H])[H])[H])[H]