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3-(4-Anisyl)-7-methyl-5-oxo-octanal
SpectraBase Compound ID CagAbm2KHhq
InChI InChI=1S/C16H22O3/c1-12(2)10-15(18)11-14(8-9-17)13-4-6-16(19-3)7-5-13/h4-7,9,12,14H,8,10-11H2,1-3H3
InChIKey LPCFDOGBDLLXKQ-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LLJL9sIyE
Name 3-(4-Anisyl)-7-methyl-5-oxo-octanal
CAS Registry Number 72178-61-1
Comments SHIFT OF 135.2 PPM ELIMINATED (PINTING ERROR ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(2)10-15(18)11-14(8-9-17)13-4-6-16(19-3)7-5-13/h4-7,9,12,14H,8,10-11H2,1-3H3
InChIKey LPCFDOGBDLLXKQ-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference J. Bielawski, S. Brandaenge, L. Lindblom, Acta Chem. Scand. B33, 462 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3