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1-[(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-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 DfQRRTxWVa1
InChI InChI=1S/C20H29N3O9/c1-7-26-16(24)11-12(17(25)27-8-2)23(22-21-11)13-14(10-9-28-19(3,4)30-10)29-18-15(13)31-20(5,6)32-18/h10,13-15,18H,7-9H2,1-6H3/t10-,13+,14-,15-,18-/m1/s1
InChIKey ZLQSPIDQRTVXEE-PGSQKUSISA-N
Mol Weight 455.46 g/mol
Molecular Formula C20H29N3O9
Exact Mass 455.19038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EyYXe9RXaEy
Name 1-[(3ar,5S,6S,6ar)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-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 455.190379517 u
Formula C20H29N3O9
InChI InChI=1S/C20H29N3O9/c1-7-26-16(24)11-12(17(25)27-8-2)23(22-21-11)13-14(10-9-28-19(3,4)30-10)29-18-15(13)31-20(5,6)32-18/h10,13-15,18H,7-9H2,1-6H3/t10-,13+,14-,15-,18-/m1/s1
InChIKey ZLQSPIDQRTVXEE-PGSQKUSISA-N
Molecular Weight 455.464 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@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H]