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2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic Acid
SpectraBase Compound ID 46EJreTPllm
InChI InChI=1S/C22H18O4/c1-13-11-17(21(23)24)7-9-19(13)15-3-5-16(6-4-15)20-10-8-18(22(25)26)12-14(20)2/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKey FQIBTEMKVHZJKB-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C22H18O4
Exact Mass 346.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVT3dPc7bki
Name 2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic Acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O4
InChI InChI=1S/C22H18O4/c1-13-11-17(21(23)24)7-9-19(13)15-3-5-16(6-4-15)20-10-8-18(22(25)26)12-14(20)2/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKey FQIBTEMKVHZJKB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 99
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801232
Molecular Weight 346.382 g/mol
Reported Formula C22H18O4
SMILES OC(c1ccc(-c2ccc(-c3c(cc(C(=O)O)cc3)C)cc2)c(c1)C)=O
SPLASH splash10-0002-2219000000-116681c30da395b444ba
Source of Spectrum U1-2019-SM13-8
Wiley ID 1846064