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(3aR,5R,6S,6aR)-6-(2-bromobenzyl)oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3aR,5R,6S,6aR)-6-(2-bromobenzyl)oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SpectraBase Compound ID 6mBrHCIXfX2
InChI InChI=1S/C19H25BrO6/c1-18(2)22-10-13(24-18)14-15(16-17(23-14)26-19(3,4)25-16)21-9-11-7-5-6-8-12(11)20/h5-8,13-17H,9-10H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey DPEGICJVBFKPDY-NQNKBUKLSA-N
Mol Weight 429.31 g/mol
Molecular Formula C19H25BrO6
Exact Mass 428.083452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ni1YAsdgWN
Name (3ar,5R,6S,6ar)-6-(2-Bromobenzyl)oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3A,5,6,6A-tetrahydrofuro[2,3-D][1,3]dioxole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.083451519 u
Formula C19H25BrO6
InChI InChI=1S/C19H25BrO6/c1-18(2)22-10-13(24-18)14-15(16-17(23-14)26-19(3,4)25-16)21-9-11-7-5-6-8-12(11)20/h5-8,13-17H,9-10H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
InChIKey DPEGICJVBFKPDY-NQNKBUKLSA-N
Molecular Weight 429.307 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OCC=2C(Br)=CC=CC2)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]