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3-Benzofuranacetic acid, 2,3-dihydro-7-methoxy-, ethyl ester
SpectraBase Compound ID KWSYvWAY2Ed
InChI InChI=1S/C13H16O4/c1-3-16-12(14)7-9-8-17-13-10(9)5-4-6-11(13)15-2/h4-6,9H,3,7-8H2,1-2H3
InChIKey WFOLQDDMPRSPFX-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rMWTfy6fzS
Name 3-Benzofuranacetic acid, 2,3-dihydro-7-methoxy-, ethyl ester
Alternate Name(s) 3-((ethoxycarboxyl)methyl)-2-hydro-7-methoxybenzofuran ethyl (7-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CAS Registry Number 111726-55-7
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-16-12(14)7-9-8-17-13-10(9)5-4-6-11(13)15-2/h4-6,9H,3,7-8H2,1-2H3
InChIKey WFOLQDDMPRSPFX-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES c12OCC(c2cccc1OC)CC(=O)OCC
SPLASH splash10-000b-0960000000-157d180798d3f49066ed
Source of Spectrum I-65-2022-9
Wiley ID 1238066