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(-)-(3Z,SS)-4-Bromo-3-(p-tolylsulfinyl)-3-hexen-2,5-dione
SpectraBase Compound ID GU4ugHlhIqB
InChI InChI=1S/C13H13BrO3S/c1-8-4-6-11(7-5-8)18(17)13(10(3)16)12(14)9(2)15/h4-7H,1-3H3/b13-12-
InChIKey YTRFMIYCNNDXGB-SEYXRHQNSA-N
Mol Weight 329.21 g/mol
Molecular Formula C13H13BrO3S
Exact Mass 327.976878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb6QWamtY1J
Name (-)-(3Z,SS)-4-Bromo-3-(p-tolylsulfinyl)-3-hexen-2,5-dione
Alternate Name(s) (-)-(3Z)-4-Bromo-3-(p-tolylsulfinyl)-3-hexen-2,5-dione (3Z)-3-bromo-4-[(4-methylphenyl)sulfinyl]-3-hexene-2,5-dione
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Formula C13H13BrO3S
InChI InChI=1S/C13H13BrO3S/c1-8-4-6-11(7-5-8)18(17)13(10(3)16)12(14)9(2)15/h4-7H,1-3H3/b13-12-
InChIKey YTRFMIYCNNDXGB-SEYXRHQNSA-N
Molecular Weight 329.208 g/mol
SMILES c1(S(\C(=C\(C(=O)C)Br)C(=O)C)=O)ccc(cc1)C
SPLASH splash10-000f-5901000000-89d52b78b109baf047a0
Source of Spectrum QC-11-1189-2
Wiley ID 859688