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3,3'-p-phenylenedipropionic acid

View entire compound with spectra: 5 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

3,3'-p-phenylenedipropionic acid
SpectraBase Compound ID HBk5OHO7vhj
InChI InChI=1S/C12H14O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-4H,5-8H2,(H,13,14)(H,15,16)
InChIKey DFOCUWFSRVQSNI-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKnTQErATbY
Name Propionic acid, 3-[4-(2-carboxyethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-4H,5-8H2,(H,13,14)(H,15,16)
InChIKey DFOCUWFSRVQSNI-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(CCc1ccc(CCC(O)=O)cc1)=O
SPLASH splash10-02t9-4900000000-a24c5d5cf8a8b16830d3
Synonyms 3-[4-(2-carboxyethyl)phenyl]propanoic acid 3-[4-(2-carboxyethyl)phenyl]propionic acid 3,3'-(1,4-phenylene)dipropanoic acid 3-[4-(3-hydroxy-3-oxopropyl)phenyl]propanoic acid
Wiley ID 1445994