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(1R,2R,3R)-1-(4-bromobenzyl)-2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indane

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

(1R,2R,3R)-1-(4-bromobenzyl)-2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indane
SpectraBase Compound ID JVom2Hn5fPX
InChI InChI=1S/C32H30Br2O4/c1-35-27-14-9-21(16-28(27)36-2)32-26-18-30(38-4)29(37-3)17-24(26)25(15-19-5-10-22(33)11-6-19)31(32)20-7-12-23(34)13-8-20/h5-14,16-18,25,31-32H,15H2,1-4H3/t25-,31+,32+/m0/s1
InChIKey LGDLEIWADJVVEW-JYJPFYCCSA-N
Mol Weight 638.4 g/mol
Molecular Formula C32H30Br2O4
Exact Mass 636.051085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOoAm6cUjTi
Name (1R,2R,3R)-1-(4-Bromobenzyl)-2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 636.051085442 u
Formula C32H30Br2O4
InChI InChI=1S/C32H30Br2O4/c1-35-27-14-9-21(16-28(27)36-2)32-26-18-30(38-4)29(37-3)17-24(26)25(15-19-5-10-22(33)11-6-19)31(32)20-7-12-23(34)13-8-20/h5-14,16-18,25,31-32H,15H2,1-4H3/t25-,31+,32+/m0/s1
InChIKey LGDLEIWADJVVEW-JYJPFYCCSA-N
Molecular Weight 638.396 g/mol
SMILES C1=2C([C@](CC=3C=CC(=CC3)Br)([C@]([C@@]1(C=1C=C(OC)C(=CC1)OC)[H])(C=1C=CC(=CC1)Br)[H])[H])=CC(=C(C2)OC)OC