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2-(5'-Bromo-3'-thienyl)-8-allylbenzopyran-4-one
SpectraBase Compound ID 2Q660TFn0if
InChI InChI=1S/C16H11BrO2S/c1-2-4-10-5-3-6-12-13(18)8-14(19-16(10)12)11-7-15(17)20-9-11/h2-3,5-9H,1,4H2
InChIKey CTSLBYJZNJTEIX-UHFFFAOYSA-N
Mol Weight 347.23 g/mol
Molecular Formula C16H11BrO2S
Exact Mass 345.966314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GduxvuyXdhl
Name 2-(5'-Bromo-3'-thienyl)-8-allylbenzopyran-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H11BrO2S
InChI InChI=1S/C16H11BrO2S/c1-2-4-10-5-3-6-12-13(18)8-14(19-16(10)12)11-7-15(17)20-9-11/h2-3,5-9H,1,4H2
InChIKey CTSLBYJZNJTEIX-UHFFFAOYSA-N
Molecular Weight 347.226 g/mol
SMILES C=1(Oc2c(CC=C)cccc2C(C1)=O)c1cc(Br)sc1
SPLASH splash10-0002-0019000000-d399eebac176104627f0
Source of Spectrum D8-331-407-7
Synonyms 8-allyl-2-(5-bromo-3-thienyl)-4H-chromen-4-one
Wiley ID 1516590