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1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-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 MS (GC)

1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-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 H4FWc1Njxfq
InChI InChI=1S/C17H25N3O9/c1-5-25-14(23)9-10(15(24)26-6-2)20(19-18-9)11-12(8(22)7-21)27-16-13(11)28-17(3,4)29-16/h8,11-13,16,21-22H,5-7H2,1-4H3/t8-,11+,12-,13-,16-/m1/s1
InChIKey KPTSPRWNBNTQDP-ZAFRWZTRSA-N
Mol Weight 415.4 g/mol
Molecular Formula C17H25N3O9
Exact Mass 415.159079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ag96Nm23QK
Name 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-1,2,3-triazole-4,5-dicarboxylate Diethyl 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]triazole-4,5-dicarboxylate
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Formula C17H25N3O9
InChI InChI=1S/C17H25N3O9/c1-5-25-14(23)9-10(15(24)26-6-2)20(19-18-9)11-12(8(22)7-21)27-16-13(11)28-17(3,4)29-16/h8,11-13,16,21-22H,5-7H2,1-4H3/t8-,11+,12-,13-,16-/m1/s1
InChIKey KPTSPRWNBNTQDP-ZAFRWZTRSA-N
Molecular Weight 415.399 g/mol
SMILES O[C@](CO)([C@@]1([C@]([n]2c(c(C(=O)OCC)nn2)C(=O)OCC)([C@@]2([C@@](OC(O2)(C)C)(O1)[H])[H])[H])[H])[H]
SPLASH splash10-03kc-6931100000-91967f448547930d6b2e
Source of Spectrum F-55-10517-9
Wiley ID 839020