For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzoic acid, 4,4'-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, dimethyl ester
SpectraBase Compound ID JHCxuc8fncj
InChI InChI=1S/C23H20O5/c1-27-22(25)17-7-3-15(4-8-17)13-19-11-12-20(21(19)24)14-16-5-9-18(10-6-16)23(26)28-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKey GDADPSUMDWPNMY-IWGRKNQJSA-N
Mol Weight 376.41 g/mol
Molecular Formula C23H20O5
Exact Mass 376.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DVwKm7bmUco
Name Benzoic acid, 4,4'-[(2-oxo-1,3-cyclopentanediylidene)dimethylidyne]bis-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.131073739 u
Formula C23H20O5
InChI InChI=1S/C23H20O5/c1-27-22(25)17-7-3-15(4-8-17)13-19-11-12-20(21(19)24)14-16-5-9-18(10-6-16)23(26)28-2/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
InChIKey GDADPSUMDWPNMY-IWGRKNQJSA-N
Molecular Weight 376.408 g/mol
SMILES COC(=O)C1=CC=C(C=C1)\C=C/1CC\C(C1=O)=C/C1=CC=C(C=C1)C(=O)OC