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2-METHYLHEPTA-2,5-DIEN-4-ONE

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2-METHYLHEPTA-2,5-DIEN-4-ONE
SpectraBase Compound ID 9c8Agffb6OM
InChI InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3/b5-4+
InChIKey NDIQNZBBNBMLMR-SNAWJCMRSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aOXRPB71kq
Name 2-Methyl-2,5-heptadien-4-one
CAS Registry Number 38011-55-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3/b5-4+
InChIKey NDIQNZBBNBMLMR-SNAWJCMRSA-N
Instrument Name Varian XL-100
Literature Reference R. Hollenstein, W. Von Philipsborn, Helv. Chim. Acta 55, 2030 (1972).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3