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E-Methyl 4-(Phenyl)-3-methoxycarbonylbut-3-enoate
SpectraBase Compound ID 8TxyZk4CD5N
InChI InChI=1S/C13H14O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKey JEMWEPHOGQWJBS-DHZHZOJOSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1neu4PnRHQ4
Name (E)-Dimethyl 2-benzylidene succinate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.089208927 u
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKey JEMWEPHOGQWJBS-DHZHZOJOSA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Molecular Weight 234.251 g/mol
Quality 335
Reported Formula C13H14O4
SMILES C1=CC(=CC=C1)\C=C\(C(=O)OC)CC(OC)=O
SPLASH splash10-014i-1930000000-05e2acf84a6f8b564a2d
Source of Spectrum QE-22-SM3-3ab (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.33 (SiO2, CH/EtOAc, 5:1)
Wiley ID 1903590