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7-CYCLOHEPTATRIENYLIDEN-1,5-DI-TERT.-BUTYLBICYCLO-[2.2.1]-HEPTA-2,5-DIEN-2,3-DICARBONSAEURE-DIMETHYLESTER
SpectraBase Compound ID 9rRqcLAv41y
InChI InChI=1S/C26H32O4/c1-24(2,3)17-15-26(25(4,5)6)20(16-13-11-9-10-12-14-16)18(17)19(22(27)29-7)21(26)23(28)30-8/h9-15,18H,1-8H3/t18-,26+/m0/s1
InChIKey ZGZNSLNSXBJMQW-HFJWLAOPSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EclZb6IsObk
Name 7-Cycloheptatrienylidene-1,5-di-tert-butyl-bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylic acid, dimethyl ester
CAS Registry Number 54440-43-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-24(2,3)17-15-26(25(4,5)6)20(16-13-11-9-10-12-14-16)18(17)19(22(27)29-7)21(26)23(28)30-8/h9-15,18H,1-8H3/t18-,26+/m0/s1
InChIKey ZGZNSLNSXBJMQW-HFJWLAOPSA-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