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(E)-Dimethyl 2-(4-fluorobenzylidene)succinate
SpectraBase Compound ID EkZTOc4TavG
InChI InChI=1S/C13H13FO4/c1-17-12(15)8-10(13(16)18-2)7-9-3-5-11(14)6-4-9/h3-7H,8H2,1-2H3/b10-7+
InChIKey LVQJAYQNBGMMGF-JXMROGBWSA-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 4HzwZVQZFJ7
Name (E)-Dimethyl 2-(4-fluorobenzylidene) succinate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.079787058 u
Formula C13H13FO4
InChI InChI=1S/C13H13FO4/c1-17-12(15)8-10(13(16)18-2)7-9-3-5-11(14)6-4-9/h3-7H,8H2,1-2H3/b10-7+
InChIKey LVQJAYQNBGMMGF-JXMROGBWSA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Molecular Weight 252.241 g/mol
Quality 335
Reported Formula C13H13O4F
SMILES C=1C(=CC=C(\C=C\(C(=O)OC)CC(=O)OC)C1)F
SPLASH splash10-001i-0920000000-3dd3a232b28970cec449
Source of Spectrum QE-22-SM15-3au (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.30 (SiO2, CH/EtOAc, 5:1)
Wiley ID 1903607