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Bitalin A

View entire compound with spectra: 1 MS (GC)

Bitalin A
SpectraBase Compound ID 4nXqGyxcaQJ
InChI InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3
InChIKey JRWKMIYLVXKKAN-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGydmlfsQYB
Name Bitalin A
Alternate Name(s) 1-[2-(1-methylolvinyl)coumaran-5-yl]ethanone 1-[2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone 1-[2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydrobenzofuran-5-yl]ethanone 1-[2-(3-oxidanylprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone 1-[2-[1-(hydroxymethyl)vinyl]-2,3-dihydrobenzofuran-5-yl]ethanone
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3
InChIKey JRWKMIYLVXKKAN-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES OCC(C1Oc2c(cc(cc2)C(=O)C)C1)=C
SPLASH splash10-014j-0790000000-667f1ade7a26609ef133
Source of Spectrum X4-26-343-0
Wiley ID 1586316