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(1R,2R)-1-(3'',4''-Dimethoxyphenyl)-1-hydroxy-2-(4'-bromo-2'-methoxyphenoxy)propane
SpectraBase Compound ID KKhSwEI8blG
InChI InChI=1S/C18H21BrO5/c1-11(24-15-8-6-13(19)10-17(15)23-4)18(20)12-5-7-14(21-2)16(9-12)22-3/h5-11,18,20H,1-4H3/t11-,18+/m1/s1
InChIKey MJVLBBJIJRRXJH-ZMZPIMSZSA-N
Mol Weight 397.27 g/mol
Molecular Formula C18H21BrO5
Exact Mass 396.057237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I661ia9PJWL
Name (1R,2R)-1-(3'',4''-Dimethoxyphenyl)-1-hydroxy-2-(4'-bromo-2'-methoxyphenoxy)propane
Alternate Name(s) (1R,2R)-2-(4-bromo-2-methoxyphenoxy)-1-(3,4-dimethoxyphenyl)propan-1-ol (1R,2R)-2-(4-bromo-2-methoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol (1R,2R)-2-(4-bromanyl-2-methoxy-phenoxy)-1-(3,4-dimethoxyphenyl)propan-1-ol
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Formula C18H21BrO5
InChI InChI=1S/C18H21BrO5/c1-11(24-15-8-6-13(19)10-17(15)23-4)18(20)12-5-7-14(21-2)16(9-12)22-3/h5-11,18,20H,1-4H3/t11-,18+/m1/s1
InChIKey MJVLBBJIJRRXJH-ZMZPIMSZSA-N
Molecular Weight 397.265 g/mol
SMILES O[C@@]([C@](Oc1c(cc(cc1)Br)OC)(C)[H])(c1cc(OC)c(cc1)OC)[H]
SPLASH splash10-014i-0900000000-6ff6d453c662dc28e474
Source of Spectrum EMC-60-245-14b
Wiley ID 1735417