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6-Bromo-1-(4-methylsulfanylphenyl)-hexan-1-one
SpectraBase Compound ID LW2K6oX6quL
InChI InChI=1S/C13H17BrOS/c1-16-12-8-6-11(7-9-12)13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3
InChIKey YKTUUZNNAVVXHG-UHFFFAOYSA-N
Mol Weight 301.24 g/mol
Molecular Formula C13H17BrOS
Exact Mass 300.018349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNKcVX80yGr
Name 6-Bromo-1-(4-methylsulfanylphenyl)-hexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrOS
InChI InChI=1S/C13H17BrOS/c1-16-12-8-6-11(7-9-12)13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3
InChIKey YKTUUZNNAVVXHG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol062723e
Molecular Weight 301.242 g/mol
SMILES C(CCC(c1ccc(cc1)SC)=O)CCBr
SPLASH splash10-0uxr-0900000000-f95e5a89e4063dc8a583
Source of Spectrum A1-9-405/SMS14-3o
Synonyms 6-Bromo-1-(4-(methylthio)phenyl)hexan-1-one
Wiley ID 1757797