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4,4'-Bis(5-carboxy-2-thienyl)phenylether

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4,4'-Bis(5-carboxy-2-thienyl)phenylether
SpectraBase Compound ID KD7rAUC6MOB
InChI InChI=1S/C22H14O5S2/c23-21(24)19-11-9-17(28-19)13-1-5-15(6-2-13)27-16-7-3-14(4-8-16)18-10-12-20(29-18)22(25)26/h1-12H,(H,23,24)(H,25,26)
InChIKey RWULUUKJQQWLPK-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H14O5S2
Exact Mass 422.028266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDjMXmEA9Cc
Name 4,4'-bis(5-Carboxy-2-thienyl)phenylether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.028265894 u
Formula C22H14O5S2
InChI InChI=1S/C22H14O5S2/c23-21(24)19-11-9-17(28-19)13-1-5-15(6-2-13)27-16-7-3-14(4-8-16)18-10-12-20(29-18)22(25)26/h1-12H,(H,23,24)(H,25,26)
InChIKey RWULUUKJQQWLPK-UHFFFAOYSA-N
Molecular Weight 422.469 g/mol
SMILES C=1(SC(=CC1)C=1C=CC(OC2=CC=C(C=3SC(C(=O)O)=CC3)C=C2)=CC1)C(=O)O