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1,3,5,7-Tetra-tert-butyl-cyclohepta-1,3,5-triene

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1,3,5,7-Tetra-tert-butyl-cyclohepta-1,3,5-triene
SpectraBase Compound ID 8w4iqAgsWL5
InChI InChI=1S/C23H40/c1-20(2,3)16-13-17(21(4,5)6)15-19(23(10,11)12)18(14-16)22(7,8)9/h13-15,18H,1-12H3
InChIKey AKNWCLGIRZSHMZ-UHFFFAOYSA-N
Mol Weight 316.6 g/mol
Molecular Formula C23H40
Exact Mass 316.313001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9el192ZlTSV
Name 1,3,5,7-Tetra-tert-butyl-cyclohepta-1,3,5-triene
CAS Registry Number 82259-32-3
Comments CS2/CD2CL2(3:1), EQUILIBRIUM WITH NORCARADIENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H40
InChI InChI=1S/C23H40/c1-20(2,3)16-13-17(21(4,5)6)15-19(23(10,11)12)18(14-16)22(7,8)9/h13-15,18H,1-12H3
InChIKey AKNWCLGIRZSHMZ-UHFFFAOYSA-N
Literature Reference K. Takeuchi, T. Kitagawa, K. Okamoto, J. Chem. Soc. Chem. Comm. 313 (1982).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CS2