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2,2,8,8-Tetramethyl-3,4,5,6,7-nonanepentone

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2,2,8,8-Tetramethyl-3,4,5,6,7-nonanepentone
SpectraBase Compound ID CoLoHowNFm7
InChI InChI=1S/C13H18O5/c1-12(2,3)10(17)8(15)7(14)9(16)11(18)13(4,5)6/h1-6H3
InChIKey YSWHTGPFXGBYJZ-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kp4KLxaugn
Name 2,2,8,8-Tetramethyl-3,4,5,6,7-nonanepentone
CAS Registry Number 104779-79-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-12(2,3)10(17)8(15)7(14)9(16)11(18)13(4,5)6/h1-6H3
InChIKey YSWHTGPFXGBYJZ-UHFFFAOYSA-N
Literature Reference R. Gleiter, G. Krennrich, M. Langer, Angew. Chem. 98, 1019 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3