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5-Bromo-N-((3aS,4R,7S,7aS)-7-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethyl-3a,4,7,7atetrahydro-1,3-benzodioxol-4-yl)-7-methoxy[1,3]dioxolo[4,5-b]pyridine-6-carboxamide

View entire compound with spectra: 1 MS (GC)

5-Bromo-N-((3aS,4R,7S,7aS)-7-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethyl-3a,4,7,7atetrahydro-1,3-benzodioxol-4-yl)-7-methoxy[1,3]dioxolo[4,5-b]pyridine-6-carboxamide
SpectraBase Compound ID Ii1AZFQqZ8X
InChI InChI=1S/C23H33BrN2O7Si/c1-22(2,3)34(7,8)33-13-10-9-12(15-16(13)32-23(4,5)31-15)25-20(27)14-17(28-6)18-21(26-19(14)24)30-11-29-18/h9-10,12-13,15-16H,11H2,1-8H3,(H,25,27)/t12-,13+,15+,16-/m1/s1
InChIKey QVIVBYMUHCLGBV-BFJAYTPKSA-N
Mol Weight 557.5 g/mol
Molecular Formula C23H33BrN2O7Si
Exact Mass 556.124041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlqqCR46TEU
Name 5-Bromo-N-((3aS,4R,7S,7aS)-7-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethyl-3a,4,7,7atetrahydro-1,3-benzodioxol-4-yl)-7-methoxy[1,3]dioxolo[4,5-b]pyridine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33BrN2O7Si
InChI InChI=1S/C23H33BrN2O7Si/c1-22(2,3)34(7,8)33-13-10-9-12(15-16(13)32-23(4,5)31-15)25-20(27)14-17(28-6)18-21(26-19(14)24)30-11-29-18/h9-10,12-13,15-16H,11H2,1-8H3,(H,25,27)/t12-,13+,15+,16-/m1/s1
InChIKey QVIVBYMUHCLGBV-BFJAYTPKSA-N
Literature Reference DOI 10.1002/adsc.201400993
Molecular Weight 557.513 g/mol
SMILES N(C(=O)c1c(c2c(nc1Br)OCO2)OC)[C@@]1(C=C[C@@]([C@@]2([C@]1(OC(O2)(C)C)[H])[H])(O[Si](C)(C)C(C)(C)C)[H])[H]
SPLASH splash10-01ta-3290000000-b4632a7b975cac94f19a
Source of Spectrum ASC-357-83/SM7-15
Synonyms 5-Bromo-N-((3aS,4R,7S,7aS)-7-((tert-butyldimethylsilyl)oxy)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxol-4-yl)-7-methoxy-[1,3]dioxolo[4,5-b]pyridine-6-carboxamide
Wiley ID 1769813