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2-Thiophenecarboxylic acid, 4,4'-biphenylene ester

View entire compound with spectra: 2 NMR, and 1 FTIR

2-Thiophenecarboxylic acid, 4,4'-biphenylene ester
SpectraBase Compound ID 3gGrMuiUMvs
InChI InChI=1S/C22H14O4S2/c23-21(19-3-1-13-27-19)25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)26-22(24)20-4-2-14-28-20/h1-14H
InChIKey UXZOFRGUHWENFL-UHFFFAOYSA-N
Mol Weight 406.47 g/mol
Molecular Formula C22H14O4S2
Exact Mass 406.033351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAVTYhCM9Ga
Name 2-Thiophenecarboxylic acid, 4,4'-biphenylene ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.033351275 u
Formula C22H14O4S2
InChI InChI=1S/C22H14O4S2/c23-21(19-3-1-13-27-19)25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)26-22(24)20-4-2-14-28-20/h1-14H
InChIKey UXZOFRGUHWENFL-UHFFFAOYSA-N
Molecular Weight 406.470 g/mol
SMILES C=1(C(OC=2C=CC(=CC2)C=2C=CC(=CC2)OC(C2=CC=CS2)=O)=O)SC=CC1