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(1R,2R)-1-(3'',4''-methylenedioxyphenyl)-1-hydroxy-2-(4'-bromo-2'-methoxyphenoxy)propane

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(1R,2R)-1-(3'',4''-methylenedioxyphenyl)-1-hydroxy-2-(4'-bromo-2'-methoxyphenoxy)propane
SpectraBase Compound ID E4ojm4EUONG
InChI InChI=1S/C17H17BrO5/c1-10(23-14-6-4-12(18)8-15(14)20-2)17(19)11-3-5-13-16(7-11)22-9-21-13/h3-8,10,17,19H,9H2,1-2H3/t10-,17+/m1/s1
InChIKey BAWCHRUDHZWQFE-QGHHPUGFSA-N
Mol Weight 381.22 g/mol
Molecular Formula C17H17BrO5
Exact Mass 380.025937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxHdk0kTS5j
Name (1R,2R)-1-(3'',4''-Methylenedioxyphenyl)-1-hydroxy-2-(4'-bromo-2'-methoxyphenoxy)propane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.025936642 u
Formula C17H17BrO5
InChI InChI=1S/C17H17BrO5/c1-10(23-14-6-4-12(18)8-15(14)20-2)17(19)11-3-5-13-16(7-11)22-9-21-13/h3-8,10,17,19H,9H2,1-2H3/t10-,17+/m1/s1
InChIKey BAWCHRUDHZWQFE-QGHHPUGFSA-N
Molecular Weight 381.222 g/mol
SMILES C1(=CC2=C(OCO2)C=C1)[C@]([C@](OC=1C(=CC(Br)=CC1)OC)(C)[H])(O)[H]