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(1R,4R)-1-(4-Bromophenyl)-1,4-dihydroxypentan-2-one
SpectraBase Compound ID 6jN0K616IOV
InChI InChI=1S/C11H13BrO3/c1-7(13)6-10(14)11(15)8-2-4-9(12)5-3-8/h2-5,7,11,13,15H,6H2,1H3/t7-,11-/m1/s1
InChIKey BBJAMPJEOAWURI-RDDDGLTNSA-N
Mol Weight 273.13 g/mol
Molecular Formula C11H13BrO3
Exact Mass 272.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGuiWeg8ABL
Name (1R,4R)-1-(4-Bromophenyl)-1,4-dihydroxypentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.004807276 u
Formula C11H13BrO3
InChI InChI=1S/C11H13BrO3/c1-7(13)6-10(14)11(15)8-2-4-9(12)5-3-8/h2-5,7,11,13,15H,6H2,1H3/t7-,11-/m1/s1
InChIKey BBJAMPJEOAWURI-RDDDGLTNSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202113405
Quality 404
SMILES O[C@@](CC([C@@](C1=CC=C(Br)C=C1)(O)[H])=O)(C)[H]
SPLASH splash10-000i-2900000000-974c5004823fdcc66a52
Source of Spectrum ACI-61-SM9-26a (DOI: 10.1002/anie.202113405)
Thin-Layer Chromatography 0.30 (cyclohexane/ethyl acetate, 1:1)
Wiley ID 1897487