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(1R,4R)-1-(4-Bromophenyl)-1,4-dihydroxy-hexan-2-one
SpectraBase Compound ID 3DPBydB7ZWS
InChI InChI=1S/C12H15BrO3/c1-2-10(14)7-11(15)12(16)8-3-5-9(13)6-4-8/h3-6,10,12,14,16H,2,7H2,1H3/t10-,12-/m1/s1
InChIKey AJXNSSGYMMYPEY-ZYHUDNBSSA-N
Mol Weight 287.15 g/mol
Molecular Formula C12H15BrO3
Exact Mass 286.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TzUixWdkjO
Name (1R,4R)-1-(4-Bromophenyl)-1,4-dihydroxy-hexan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15BrO3
InChI InChI=1S/C12H15BrO3/c1-2-10(14)7-11(15)12(16)8-3-5-9(13)6-4-8/h3-6,10,12,14,16H,2,7H2,1H3/t10-,12-/m1/s1
InChIKey AJXNSSGYMMYPEY-ZYHUDNBSSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202113405
Molecular Weight 287.153 g/mol
Quality 278
SMILES O[C@@](CC([C@@](C1=CC=C(Br)C=C1)(O)[H])=O)(CC)[H]
SPLASH splash10-052r-1930000000-06969fa246030cd28c72
Source of Spectrum ACI-61-SM10-27a (DOI: 10.1002/anie.202113405)
Thin-Layer Chromatography 0.41 (cyclohexane/ethyl acetate, 1:1)
Wiley ID 1897488