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3-Benzoyl-5-(4'-bromobenzoyl)-2-(methylthio)thiophene
SpectraBase Compound ID G98KaIKKtQx
InChI InChI=1S/C19H13BrO2S2/c1-23-19-15(17(21)12-5-3-2-4-6-12)11-16(24-19)18(22)13-7-9-14(20)10-8-13/h2-11H,1H3
InChIKey PNHBHMAHYBDLAW-UHFFFAOYSA-N
Mol Weight 417.34 g/mol
Molecular Formula C19H13BrO2S2
Exact Mass 415.954035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ESyrT9K0JY
Name 3-Benzoyl-5-(4'-bromobenzoyl)-2-(methylthio)thiophene
Alternate Name(s) [5-(4-bromobenzoyl)-2-(methylsulfanyl)-3-thienyl](phenyl)methanone
CAS Registry Number 138696-65-8
Comments Less than 3 mono-isotopic peaks
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Formula C19H13BrO2S2
InChI InChI=1S/C19H13BrO2S2/c1-23-19-15(17(21)12-5-3-2-4-6-12)11-16(24-19)18(22)13-7-9-14(20)10-8-13/h2-11H,1H3
InChIKey PNHBHMAHYBDLAW-UHFFFAOYSA-N
Molecular Weight 417.335 g/mol
SMILES c1(c(sc(c1)C(c1ccc(cc1)Br)=O)SC)C(=O)c1ccccc1
SPLASH splash10-000i-0900300000-4f797983e9ffa03de1fe
Source of Spectrum U-1992-391-6
Wiley ID 764206