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diethyl 1-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylate
SpectraBase Compound ID 8sQPyPsyHgD
InChI InChI=1S/C16H23N3O7/c1-6-22-13(20)9-11(14(21)23-7-2)19(18-17-9)10-8(3)24-15-12(10)25-16(4,5)26-15/h8,10,12,15H,6-7H2,1-5H3/t8-,10+,12-,15-/m1/s1
InChIKey BIQMBRORZGJZQW-PDDIYTMJSA-N
Mol Weight 369.37 g/mol
Molecular Formula C16H23N3O7
Exact Mass 369.1536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQWkt5x5XR3
Name Diethyl 1-[2-Methyl-4,5-(isopropylidenedioxytetrahydrofuran-3-yl]-1,2,3-triazole-4,5-dicarboxylate
Alternate Name(s) Diethyl 1-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylate Diethyl 1-[(3aR,5R,6S,6aR)-2,2,5-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-1,2,3-triazole-4,5-dicarboxylate
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Formula C16H23N3O7
InChI InChI=1S/C16H23N3O7/c1-6-22-13(20)9-11(14(21)23-7-2)19(18-17-9)10-8(3)24-15-12(10)25-16(4,5)26-15/h8,10,12,15H,6-7H2,1-5H3/t8-,10+,12-,15-/m1/s1
InChIKey BIQMBRORZGJZQW-PDDIYTMJSA-N
Molecular Weight 369.374 g/mol
SMILES c1([n](nnc1C(=O)OCC)[C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1(C)[H])[H])[H])[H])C(=O)OCC
SPLASH splash10-00r7-2932000000-f65886ad130b687ba875
Source of Spectrum J-66-3723-34
Wiley ID 1535258