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7-(3,4-Diphenyl-cyclopentadienylidene)-bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester

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7-(3,4-Diphenyl-cyclopentadienylidene)-bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 5RKSgwgk8Ee
InChI InChI=1S/C28H22O4/c1-31-27(29)25-20-13-14-21(26(25)28(30)32-2)24(20)19-15-22(17-9-5-3-6-10-17)23(16-19)18-11-7-4-8-12-18/h3-16,20-21H,1-2H3/t20-,21-/m1/s1
InChIKey FYTVQTIWPVPADJ-NHCUHLMSSA-N
Mol Weight 422.48 g/mol
Molecular Formula C28H22O4
Exact Mass 422.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LO6WDbfbSFH
Name 7-(3,4-Diphenyl-cyclopentadienylidene)-bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester
CAS Registry Number 36371-86-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H22O4
InChI InChI=1S/C28H22O4/c1-31-27(29)25-20-13-14-21(26(25)28(30)32-2)24(20)19-15-22(17-9-5-3-6-10-17)23(16-19)18-11-7-4-8-12-18/h3-16,20-21H,1-2H3/t20-,21-/m1/s1
InChIKey FYTVQTIWPVPADJ-NHCUHLMSSA-N
Instrument Name Varian XL-100
Literature Reference L. Knothe, J. Werp, Liebigs Ann. Chem. 709 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3