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7-Methyl-oxa-cyclododeca-6,10-dien-2-one

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7-Methyl-oxa-cyclododeca-6,10-dien-2-one
SpectraBase Compound ID 6aWwRYtnEKR
InChI InChI=1S/C12H18O2/c1-11-7-3-2-6-10-14-12(13)9-5-4-8-11/h2,6,8H,3-5,7,9-10H2,1H3/b6-2+,11-8+
InChIKey RBULUBHGMFTONT-FIHYNHINSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBgbvZs4VE8
Name (5E,9E)-6-Methyl-5,9-undecadien-11-olide
CAS Registry Number 70968-69-3
Comments SHIFT OF C9 SURPRISINGLY LOW
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-11-7-3-2-6-10-14-12(13)9-5-4-8-11/h2,6,8H,3-5,7,9-10H2,1H3/b6-2+,11-8+
InChIKey RBULUBHGMFTONT-FIHYNHINSA-N
Literature Reference M. Shibuya, F. Jaisli, A. Eschenmoser, Angew. Chem. 91, 672 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3