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3-(1,3-dithiolan-2-yl)chromone
SpectraBase Compound ID KJLyWW0MYAr
InChI InChI=1S/C12H10O2S2/c13-11-8-3-1-2-4-10(8)14-7-9(11)12-15-5-6-16-12/h1-4,7,12H,5-6H2
InChIKey IFQYZAZASQVTKI-UHFFFAOYSA-N
Mol Weight 250.33 g/mol
Molecular Formula C12H10O2S2
Exact Mass 250.012222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBlW2L92a2E
Name 3-(1,3-Dithiolan-2-yl)-4H-chromen-4-one
Alternate Name(s) 3-(1,3-dithiolan-2-yl)-1-benzopyran-4-one 3-(1,3-dithiolan-2-yl)chromen-4-one
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Formula C12H10O2S2
InChI InChI=1S/C12H10O2S2/c13-11-8-3-1-2-4-10(8)14-7-9(11)12-15-5-6-16-12/h1-4,7,12H,5-6H2
InChIKey IFQYZAZASQVTKI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403313h
Molecular Weight 250.330 g/mol
SMILES C1(C2=COc3c(cccc3)C2=O)SCCS1
SPLASH splash10-0231-6900000000-e3c42473d5efda097221
Source of Spectrum A1-16-1036/SM-2n
Wiley ID 1749106