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(3aS,4R,5R,7aS)-7-bromo-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diol
SpectraBase Compound ID 5xTQ3L5Lv3B
InChI InChI=1S/C14H15BrO5/c1-18-8-4-2-7(3-5-8)14-19-12-9(15)6-10(16)11(17)13(12)20-14/h2-6,10-14,16-17H,1H3/t10-,11-,12-,13+,14?/m1/s1
InChIKey QSQXDLXREZISPZ-LSGALXMHSA-N
Mol Weight 343.17 g/mol
Molecular Formula C14H15BrO5
Exact Mass 342.010287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xG3cJw1mGR
Name (3aS,4R,5R,7aS)-7-bromo-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrO5
InChI InChI=1S/C14H15BrO5/c1-18-8-4-2-7(3-5-8)14-19-12-9(15)6-10(16)11(17)13(12)20-14/h2-6,10-14,16-17H,1H3/t10-,11-,12-,13+,14?/m1/s1
InChIKey QSQXDLXREZISPZ-LSGALXMHSA-N
Literature Reference DOI 10.1021/ol071344y
Molecular Weight 343.173 g/mol
SMILES O[C@@]1(C=C([C@]2(OC(O[C@]2([C@@]1(O)[H])[H])c1ccc(cc1)OC)[H])Br)[H]
SPLASH splash10-000i-2900000000-0c1918f3601c8248e649
Source of Spectrum A1-9-3503/SMS3-5a
Wiley ID 1758438