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2-[2-(3-bromanylthiophen-2-yl)-4-oxidanylidene-chromen-8-yl]ethanoic acid
SpectraBase Compound ID IjqwLmLMPIn
InChI InChI=1S/C15H9BrO4S/c16-10-4-5-21-15(10)12-7-11(17)9-3-1-2-8(6-13(18)19)14(9)20-12/h1-5,7H,6H2,(H,18,19)
InChIKey CCRNCPPUUJMZFX-UHFFFAOYSA-N
Mol Weight 365.2 g/mol
Molecular Formula C15H9BrO4S
Exact Mass 363.940493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99UHDJ6266r
Name 2-[2-(3-bromanylthiophen-2-yl)-4-oxidanylidene-chromen-8-yl]ethanoic acid
Alternate Name(s) 2-[2-(3-bromo-2-thienyl)-4-keto-chromen-8-yl]acetic acid 2-[2-(3-bromo-2-thienyl)-4-oxo-chromen-8-yl]acetic acid 2-[2-(3-bromo-2-thiophenyl)-4-oxo-1-benzopyran-8-yl]acetic acid 2-[2-(3-bromothiophen-2-yl)-4-oxochromen-8-yl]acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C15H9BrO4S
InChI InChI=1S/C15H9BrO4S/c16-10-4-5-21-15(10)12-7-11(17)9-3-1-2-8(6-13(18)19)14(9)20-12/h1-5,7H,6H2,(H,18,19)
InChIKey CCRNCPPUUJMZFX-UHFFFAOYSA-N
Molecular Weight 365.197 g/mol
SMILES OC(Cc1c2OC(c3c(ccs3)Br)=CC(c2ccc1)=O)=O
SPLASH splash10-02t9-0029000000-5dda628ac028e94e69fb
Source of Spectrum D8-331-409-8
Wiley ID 1516625