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2-(1,3-dioxo-2-isoindolyl)-2-fluoroacetic acid ethyl ester
SpectraBase Compound ID FZBsuSEXv6m
InChI InChI=1S/C12H10FNO4/c1-2-18-12(17)9(13)14-10(15)7-5-3-4-6-8(7)11(14)16/h3-6,9H,2H2,1H3
InChIKey XNPHAINUCIZYLO-UHFFFAOYSA-N
Mol Weight 251.21 g/mol
Molecular Formula C12H10FNO4
Exact Mass 251.059386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPMB3W2YDXG
Name 2-(1,3-dioxo-2-isoindolyl)-2-fluoroacetic acid ethyl ester
Alternate Name(s) 2-fluoro-2-phthalimido-acetic acid ethyl ester ethyl 2-(1,3-dioxoisoindol-2-yl)-2-fluoroacetate ethyl 2-(1,3-dioxoisoindolin-2-yl)-2-fluoro-acetate ethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-fluoranyl-ethanoate
CAS Registry Number 115821-19-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H10FNO4
InChI InChI=1S/C12H10FNO4/c1-2-18-12(17)9(13)14-10(15)7-5-3-4-6-8(7)11(14)16/h3-6,9H,2H2,1H3
InChIKey XNPHAINUCIZYLO-UHFFFAOYSA-N
Molecular Weight 251.213 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(C(=O)OCC)F)=O
SPLASH splash10-004i-0900000000-ba01f41adfa140ec1bbe
Source of Spectrum KC-1988-1152-6
Wiley ID 1254355