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CAPILLARIN
SpectraBase Compound ID 9juxLAjPZAu
InChI InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,7H2,1H3
InChIKey KUJLPCYCQICVRM-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C13H10O2
Exact Mass 198.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VzrRddCc4
Name Capillarine
Alternate Name(s) 3-(But-2'-yn-1'-yl)-isobenzopyran-1(1H)-one 3-But-2-ynyl-2-benzopyran-1-one 3-But-2-ynylisochromen-1-one
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Formula C13H10O2
InChI InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,7H2,1H3
InChIKey KUJLPCYCQICVRM-UHFFFAOYSA-N
Molecular Weight 198.221 g/mol
SMILES C1(OC(CC#CC)=Cc2c1cccc2)=O
SPLASH splash10-000b-5900000000-166539b8e91f2d5d1245
Source of Spectrum X2-47-171-2
Wiley ID 1601369