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2-[(E)-3-ethoxy-1-fluoro-3-keto-prop-1-enyl]benzoic acid methyl ester
SpectraBase Compound ID 7xZvBr6xguV
InChI InChI=1S/C13H13FO4/c1-3-18-12(15)8-11(14)9-6-4-5-7-10(9)13(16)17-2/h4-8H,3H2,1-2H3/b11-8+
InChIKey RSORQSARIZXYGW-DHZHZOJOSA-N
Mol Weight 252.24 g/mol
Molecular Formula C13H13FO4
Exact Mass 252.079787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPFNrU0sInp
Name 2-[(E)-3-ethoxy-1-fluoro-3-keto-prop-1-enyl]benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H13FO4
InChI InChI=1S/C13H13FO4/c1-3-18-12(15)8-11(14)9-6-4-5-7-10(9)13(16)17-2/h4-8H,3H2,1-2H3/b11-8+
InChIKey RSORQSARIZXYGW-DHZHZOJOSA-N
Molecular Weight 252.241 g/mol
SMILES c1(\C(=C/C(=O)OCC)F)c(C(=O)OC)cccc1
SPLASH splash10-004i-0900000000-1395fad1ed6f0a66d7f2
Source of Spectrum J-65-699-4
Synonyms 2-[(E)-3-ethoxy-1-fluoro-3-oxoprop-1-enyl]benzoic acid methyl ester methyl 2-[(E)-3-ethoxy-1-fluoranyl-3-oxidanylidene-prop-1-enyl]benzoate methyl 2-[(E)-3-ethoxy-1-fluoro-3-oxo-prop-1-enyl]benzoate
Wiley ID 1532088