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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]-4-triazolecarboxylic acid methyl ester
SpectraBase Compound ID 2TdHBTLKyew
InChI InChI=1S/C16H23N3O7/c1-15(2)22-7-9(24-15)11-10(12-14(23-11)26-16(3,4)25-12)19-6-8(17-18-19)13(20)21-5/h6,9-12,14H,7H2,1-5H3/t9-,10+,11-,12-,14-/m1/s1
InChIKey YHRNUUMYYNGIAO-CYRBOEJBSA-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 EBF0mHsBoWa
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]-4-triazolecarboxylic acid methyl ester
Alternate Name(s) 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-carboxylic acid methyl ester Methyl 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]-1,2,3-triazole-4-carboxylate Methyl 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-carboxylate
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Formula C16H23N3O7
InChI InChI=1S/C16H23N3O7/c1-15(2)22-7-9(24-15)11-10(12-14(23-11)26-16(3,4)25-12)19-6-8(17-18-19)13(20)21-5/h6,9-12,14H,7H2,1-5H3/t9-,10+,11-,12-,14-/m1/s1
InChIKey YHRNUUMYYNGIAO-CYRBOEJBSA-N
Molecular Weight 369.374 g/mol
SMILES [C@]1([n]2nnc(c2)C(=O)OC)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H]
SPLASH splash10-0f6x-5902000000-a5b738acff4fedf11b89
Source of Spectrum F-55-10521-19
Wiley ID 839010