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Dimethyl 5-(2-phenyl-1-ethynyl)isophthanate
SpectraBase Compound ID DVOA7XjTceo
InChI InChI=1S/C18H14O4/c1-21-17(19)15-10-14(11-16(12-15)18(20)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3
InChIKey MFUCJGRHFRTUDY-UHFFFAOYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C18H14O4
Exact Mass 294.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKVQJXLsz8n
Name Dimethyl 5-(2-phenyl-1-ethynyl)isophthanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O4
InChI InChI=1S/C18H14O4/c1-21-17(19)15-10-14(11-16(12-15)18(20)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3
InChIKey MFUCJGRHFRTUDY-UHFFFAOYSA-N
Molecular Weight 294.306 g/mol
SMILES C(#Cc1ccccc1)c1cc(C(=O)OC)cc(c1)C(=O)OC
SPLASH splash10-0006-0090000000-1de901d5840e5834495b
Source of Spectrum F-56-412-22
Synonyms Dimethyl 5-(2-phenylethynyl)benzene-1,3-dicarboxylate
Wiley ID 855525