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2E,4,4-TRIMETHYL-1,3-DIOXANE

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2E,4,4-TRIMETHYL-1,3-DIOXANE
SpectraBase Compound ID DK9PGG5PJCo
InChI InChI=1S/C7H14O2/c1-6-8-4-7(2,3)5-9-6/h6H,4-5H2,1-3H3
InChIKey WKHMCZHHXYIWCS-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZIa2Ce5cSv
Name 2,5,5-Trimethyl-1,3-dioxane
CAS Registry Number 766-33-6
Comments C5 AND C6 EQ., C7 AX.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-6-8-4-7(2,3)5-9-6/h6H,4-5H2,1-3H3
InChIKey WKHMCZHHXYIWCS-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference K. Pihlaja, T. Nurmi, Israel J. Chem. 20, 160 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3