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3-Chloro-3,6-di-tert-butyl-2,2,7,7-tetramethyl-oct-5-en-4-one

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3-Chloro-3,6-di-tert-butyl-2,2,7,7-tetramethyl-oct-5-en-4-one
SpectraBase Compound ID 9A2kPZlRKWf
InChI InChI=1S/C20H37ClO/c1-16(2,3)14(17(4,5)6)13-15(22)20(21,18(7,8)9)19(10,11)12/h13H,1-12H3
InChIKey FJRJGHKPLOLBJP-UHFFFAOYSA-N
Mol Weight 329.0 g/mol
Molecular Formula C20H37ClO
Exact Mass 328.253294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DH2XYdcCdbU
Name 3-Chloro-3,6-di-tert-butyl-2,2,7,7-tetramethyl-oct-5-en-4-one
CAS Registry Number 108296-90-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H37ClO
InChI InChI=1S/C20H37ClO/c1-16(2,3)14(17(4,5)6)13-15(22)20(21,18(7,8)9)19(10,11)12/h13H,1-12H3
InChIKey FJRJGHKPLOLBJP-UHFFFAOYSA-N
Literature Reference J.K. Crandall, G.E. Salazar, R.J. Watkins, J. Am. Chem. Soc. 109, 4338 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3