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1-(1,7,7-Trimethyl-bicyclo(2.2.1)hept-2-en-2-yl)-3,7-dimethyl-nona-3,5,7-trien-1-yn-9-oic acid
SpectraBase Compound ID JLZO8bkoC6O
InChI InChI=1S/C21H26O2/c1-15(7-6-8-16(2)13-19(22)23)9-10-18-14-17-11-12-21(18,5)20(17,3)4/h6-8,13-14,17H,11-12H2,1-5H3,(H,22,23)/b8-6+,15-7-,16-13+/t17-,21+/m0/s1
InChIKey ZXVTTZPLERCOSF-WPIHPEIRSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCuQ68WQctE
Name 1-(1,7,7-Trimethyl-bicyclo(2.2.1)hept-2-en-2-yl)-3,7-dimethyl-nona-3,5,7-trien-1-yn-9-oic acid
Comments STRUCTURE CHANGED (G.ENGLERT, PRIVATE COMM.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-15(7-6-8-16(2)13-19(22)23)9-10-18-14-17-11-12-21(18,5)20(17,3)4/h6-8,13-14,17H,11-12H2,1-5H3,(H,22,23)/b8-6+,15-7-,16-13+/t17-,21+/m0/s1
InChIKey ZXVTTZPLERCOSF-WPIHPEIRSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, Helv. Chim. Acta 58, 2367 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3