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(3S,5R,6S)-3-(4-bromophenyl)-6-hydroxyspiro[4.5]decane-1,7-dione
SpectraBase Compound ID 6jC5aVlhnPy
InChI InChI=1S/C16H17BrO3/c17-12-5-3-10(4-6-12)11-8-14(19)16(9-11)7-1-2-13(18)15(16)20/h3-6,11,15,20H,1-2,7-9H2/t11-,15-,16+/m1/s1
InChIKey GKEQQCLOVILITL-LYRGGWFBSA-N
Mol Weight 337.21 g/mol
Molecular Formula C16H17BrO3
Exact Mass 336.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjsO1cnjhqX
Name (3S,5R,6S)-3-(4-bromophenyl)-6-hydroxyspiro[4.5]decane-1,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO3
InChI InChI=1S/C16H17BrO3/c17-12-5-3-10(4-6-12)11-8-14(19)16(9-11)7-1-2-13(18)15(16)20/h3-6,11,15,20H,1-2,7-9H2/t11-,15-,16+/m1/s1
InChIKey GKEQQCLOVILITL-LYRGGWFBSA-N
Literature Reference DOI 10.1002/asia.201100383
Molecular Weight 337.213 g/mol
SMILES O[C@]1([C@]2(CCCC1=O)C(=O)C[C@](C2)(c1ccc(cc1)Br)[H])[H]
SPLASH splash10-0006-9821000000-08e06df2692955a00a8f
Source of Spectrum CAJ-6-2269/SM6-4b
Wiley ID 1773100