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Deodarone
SpectraBase Compound ID CmrqJWZOMQo
InChI InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12H,6-10H2,1-4H3
InChIKey FBZSMLWLLPEEKP-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlwzNyXP6Tb
Name 2,2,6-Trimethyl-6-[4-methyl-cyclohex-3-enyl]-tetrahydro-4-pyrone
Comments LOW FIELD SHIFTS OF DIASTEREOMERIC MIXTURE SHIFT AT 94 PPM REPORTED FOR C1 MUST BE IN ERROR
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12H,6-10H2,1-4H3
InChIKey FBZSMLWLLPEEKP-UHFFFAOYSA-N
Literature Reference D.R. Adams, S.P. Bhatnagar, R.C. Cookson, J. Chem. Soc. Perkin I 1502 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3