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2,4-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-6-hydroxycyclohexa-2,4-dien-1-one

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2,4-ditert-butyl-6-(3,3-dimethylbut-1-ynyl)-6-hydroxycyclohexa-2,4-dien-1-one
SpectraBase Compound ID 1WyAfdA4sZ2
InChI InChI=1S/C20H30O2/c1-17(2,3)10-11-20(22)13-14(18(4,5)6)12-15(16(20)21)19(7,8)9/h12-13,22H,1-9H3
InChIKey CLKYBCVOXKWYIO-UHFFFAOYSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KhikJL4EoE
Name CLKYBCVOXKWYIO-UHFFFAOYSA-N
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-17(2,3)10-11-20(22)13-14(18(4,5)6)12-15(16(20)21)19(7,8)9/h12-13,22H,1-9H3
InChIKey CLKYBCVOXKWYIO-UHFFFAOYSA-N
Literature Reference Author K.MARUYAMA,T.KUSUKAWA,T.MASHINO,A.NISHINAGA
Literature Reference Citation J.ORG.CHEM.,61,3342(1996)
Literature Reference DOI 10.1021/jo950944k
Molecular Weight 302.457 g/mol
Solvent CDCl3
Source File Reference UWCS21755