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(2S*,3aS*,7aS*)-7a-(2-Bromo-5-methoxybenzyl)-2-bromomethyl-4,4-dimethyloctahydrobenzofuran
SpectraBase Compound ID BbFMPIgWvNW
InChI InChI=1S/C19H26Br2O2/c1-18(2)7-4-8-19(17(18)10-15(12-20)23-19)11-13-9-14(22-3)5-6-16(13)21/h5-6,9,15,17H,4,7-8,10-12H2,1-3H3/t15-,17-,19-/m0/s1
InChIKey WBGQXRLLQGWDNI-IEZWGBDMSA-N
Mol Weight 446.22 g/mol
Molecular Formula C19H26Br2O2
Exact Mass 444.029956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CdVP4vypta
Name (2S*,3aS*,7aS*)-7a-(2-Bromo-5-methoxybenzyl)-2-bromomethyl-4,4-dimethyloctahydrobenzofuran
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Formula C19H26Br2O2
InChI InChI=1S/C19H26Br2O2/c1-18(2)7-4-8-19(17(18)10-15(12-20)23-19)11-13-9-14(22-3)5-6-16(13)21/h5-6,9,15,17H,4,7-8,10-12H2,1-3H3/t15-,17-,19-/m0/s1
InChIKey WBGQXRLLQGWDNI-IEZWGBDMSA-N
Molecular Weight 446.223 g/mol
SMILES [C@]12([C@](C(C)(C)CCC2)(C[C@](O1)(CBr)[H])[H])Cc1c(ccc(c1)OC)Br
SPLASH splash10-00kb-7090000000-a54c493223d8cfe9ba54
Source of Spectrum F-70-7698-24
Synonyms (2S,3aS,7aS)-7a-(2-bromo-5-methoxybenzyl)-2-(bromomethyl)-4,4-dimethyloctahydro-1-benzofuran 3-[((2S,3aS,7aS)-2-(bromomethyl)-4,4-dimethylhexahydro-1-benzofuran-7a(2H)-yl)methyl]-4-bromophenyl methyl ether
Wiley ID 1597549