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(E)-Dimethyl 2-(4-iodobenzylidene)succinate
SpectraBase Compound ID RnxgFJmG6n
InChI InChI=1S/C13H13IO4/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 GVZDTEOYLFJBRH-JXMROGBWSA-N
Mol Weight 360.15 g/mol
Molecular Formula C13H13IO4
Exact Mass 359.985854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 463rmaqmzQ
Name (E)-Dimethyl 2-(4-iodobenzylidene)succinate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.985853895 u
Formula C13H13IO4
InChI InChI=1S/C13H13IO4/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 GVZDTEOYLFJBRH-JXMROGBWSA-N
Instrument Name Agilent 5975C inert XL
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503744
Molecular Weight 360.147 g/mol
Quality 391
Reported Formula C13H13IO4
SMILES C=1C(=CC=C(\C=C\(C(=O)OC)CC(=O)OC)C1)I
SPLASH splash10-0jdi-1906000000-403c65e915bb1f04db35
Source of Spectrum QE-22-SM16-3ax (DOI: 10.1002/chem.201503744)
Thin-Layer Chromatography 0.50 (SiO2, CH/EtOAc, 2:1)
Wiley ID 1903610