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4-Methyl-5-benzoyloxy-2,4-pentadienal

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4-Methyl-5-benzoyloxy-2,4-pentadienal
SpectraBase Compound ID 4LebYkOwXtU
InChI InChI=1S/C13H12O3/c1-11(6-5-9-14)10-16-13(15)12-7-3-2-4-8-12/h2-10H,1H3/b6-5+,11-10+
InChIKey OWFXMJGJSGEZHZ-RINXSNKBSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xLNLSJs4KX
Name 4-Methyl-5-benzoyloxy-2,4-pentadienal
CAS Registry Number 55546-49-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-11(6-5-9-14)10-16-13(15)12-7-3-2-4-8-12/h2-10H,1H3/b6-5+,11-10+
InChIKey OWFXMJGJSGEZHZ-RINXSNKBSA-N
Instrument Name Jeol FX-60
Literature Reference J.P. Jacobsen, J. Becher, Acta Chem. Scand. B31, 519 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6