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(E)-Dimethyl 2-(4-(tert-butyl)benzylidene) succinate
SpectraBase Compound ID EQtGdqvZCXI
InChI InChI=1S/C17H22O4/c1-17(2,3)14-8-6-12(7-9-14)10-13(16(19)21-5)11-15(18)20-4/h6-10H,11H2,1-5H3/b13-10+
InChIKey XIHNPBLAFPUTLS-JLHYYAGUSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZPy118kL5h
Name (E)-Dimethyl 2-(4-(tert-butyl)benzylidene) succinate
Appearance Yellow oil
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Exact Mass 290.151809184 u
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-17(2,3)14-8-6-12(7-9-14)10-13(16(19)21-5)11-15(18)20-4/h6-10H,11H2,1-5H3/b13-10+
InChIKey XIHNPBLAFPUTLS-JLHYYAGUSA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Quality 38
Reported Formula C17H22O4
SMILES C=1C(=CC=C(\C=C\(C(=O)OC)CC(=O)OC)C1)C(C)(C)C
SPLASH splash10-004i-0190000000-6eb9231d3c3d3654d0eb
Source of Spectrum QE-22-SM11-3ao (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.53 (SiO2, CH/EtOAc, 2:1)
Wiley ID 1903601