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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7poGIlbnJPD
Name 1,4-Phenylenedipropionic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 183768
CAS Registry Number 4251-21-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002307