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1,4-Phenylene Dipropiolate
SpectraBase Compound ID G6IkLwMxTDc
InChI InChI=1S/C12H6O4/c1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2/h1-2,5-8H
InChIKey KGFUDVFBWDKARZ-UHFFFAOYSA-N
Mol Weight 214.18 g/mol
Molecular Formula C12H6O4
Exact Mass 214.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89VJWHeOK7
Name 1,4-Phenylene Dipropiolate
Appearance Colorless crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6O4
InChI InChI=1S/C12H6O4/c1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2/h1-2,5-8H
InChIKey KGFUDVFBWDKARZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02011
Molecular Weight 214.176 g/mol
Reported Formula C12H6O4
SMILES c1cc(ccc1OC(=O)C#C)OC(=O)C#C
SPLASH splash10-0w29-9610000000-6dc6b38e5806160c23dc
Source of Spectrum JOC-86-190-99
Thin-Layer Chromatography Rf = 0.6 (chloroform)
Wiley ID 1854971