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2,3,5-Trimethyl-1,4-cyclohexadione
SpectraBase Compound ID Ezh2ofOuuO5
InChI InChI=1S/C9H14O2/c1-5-4-8(10)6(2)7(3)9(5)11/h5-7H,4H2,1-3H3
InChIKey XYFMDAJSEGGDKR-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ZBtnXrVZfn
Name 2,3,5-Trimethyl-1,4-cyclohexadione
CAS Registry Number 116760-58-8
Comments WHE-6570-85 ISOMER B 15 %
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-5-4-8(10)6(2)7(3)9(5)11/h5-7H,4H2,1-3H3
InChIKey XYFMDAJSEGGDKR-UHFFFAOYSA-N
Instrument Name Bruker WH-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3