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3-Bromo-2,4-bis(methoxy)-2-(4'-methoxyphenyl)chromane
SpectraBase Compound ID Bdwho1iOmPr
InChI InChI=1S/C18H19BrO4/c1-20-13-10-8-12(9-11-13)18(22-3)17(19)16(21-2)14-6-4-5-7-15(14)23-18/h4-11,16-17H,1-3H3/t16-,17-,18-/m0/s1
InChIKey ISSNDTPUORPDPL-BZSNNMDCSA-N
Mol Weight 379.25 g/mol
Molecular Formula C18H19BrO4
Exact Mass 378.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFcHG2DR1ev
Name 3-Bromo-2,4-bis(methoxy)-2-(4'-methoxyphenyl)chromane
Alternate Name(s) (2S,3S,4S)-3-Bromo-2,4-dimethoxy-2-(4-methoxy-phenyl)-chroman 3-Bromo-2,4-dimethoxy-2-(4-methoxyphenyl)chromane (2S,3S,4S)-3-bromo-2,4-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran (2S,3S,4S)-3-bromo-2,4-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydrochromene (2S,3S,4S)-3-bromo-2,4-dimethoxy-2-(4-methoxyphenyl)chromane (2S,3S,4S)-3-bromanyl-2,4-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydrochromene
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Formula C18H19BrO4
InChI InChI=1S/C18H19BrO4/c1-20-13-10-8-12(9-11-13)18(22-3)17(19)16(21-2)14-6-4-5-7-15(14)23-18/h4-11,16-17H,1-3H3/t16-,17-,18-/m0/s1
InChIKey ISSNDTPUORPDPL-BZSNNMDCSA-N
Molecular Weight 379.250 g/mol
SMILES [C@]1([C@]([C@@](OC)(c2c(O1)cccc2)[H])(Br)[H])(c1ccc(cc1)OC)OC
SPLASH splash10-0019-0986000000-ae9dfcd9dc315e780210
Source of Spectrum SK-26-3072-10
Wiley ID 867232