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3-{(Ethoxycarbonyl)methyl}-7-fluorophthalide
SpectraBase Compound ID 35pyrLbJuSS
InChI InChI=1S/C12H11FO4/c1-2-16-10(14)6-9-7-4-3-5-8(13)11(7)12(15)17-9/h3-5,9H,2,6H2,1H3
InChIKey MEBHRDUMJLTWSX-UHFFFAOYSA-N
Mol Weight 238.21 g/mol
Molecular Formula C12H11FO4
Exact Mass 238.064137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INECRGqPfPa
Name 3-{(Ethoxycarbonyl)methyl}-7-fluorophthalide
Alternate Name(s) Ethyl 2-(4-fluoro-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
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Formula C12H11FO4
InChI InChI=1S/C12H11FO4/c1-2-16-10(14)6-9-7-4-3-5-8(13)11(7)12(15)17-9/h3-5,9H,2,6H2,1H3
InChIKey MEBHRDUMJLTWSX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 238.214 g/mol
SMILES c1(cccc2c1C(OC2CC(=O)OCC)=O)F
SPLASH splash10-0w29-1900000000-1069361001109ed230cf
Source of Spectrum A1-13-4153/SMS8-3ea
Wiley ID 1753575