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1,3,4,5-Tetra-tert-butyl-tricyclo(2.1.0.0/3,5/)pentan-2-one

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1,3,4,5-Tetra-tert-butyl-tricyclo(2.1.0.0/3,5/)pentan-2-one
SpectraBase Compound ID 9QwJXSB4waU
InChI InChI=1S/C21H36O/c1-14(2,3)18-13(22)19(15(4,5)6)20(18,16(7,8)9)21(18,19)17(10,11)12/h1-12H3/t18-,19+,20+,21-
InChIKey YEJJTJJGHGBHGV-UJOPUZHASA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqWE051n0Dx
Name 1,3,4,5-Tetra-tert-butyl-tricyclo(2.1.0.0/3,5/)pentan-2-one
CAS Registry Number 66809-03-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O
InChI InChI=1S/C21H36O/c1-14(2,3)18-13(22)19(15(4,5)6)20(18,16(7,8)9)21(18,19)17(10,11)12/h1-12H3/t18-,19+,20+,21-
InChIKey YEJJTJJGHGBHGV-UJOPUZHASA-N
Literature Reference G. Maier, S. Pfriem, Angew. Chem. 90, 552 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D10-DIETHYL ETHER