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2-(trans-But-2-en-1-yl)-5-(2-[1,3-dioxan-2-yl]-ethyl)-3-methyl-cyclohexanone
SpectraBase Compound ID A23y6NjednK
InChI InChI=1S/C17H28O3/c1-3-4-6-15-13(2)11-14(12-16(15)18)7-8-17-19-9-5-10-20-17/h3-4,13-15,17H,5-12H2,1-2H3/b4-3+
InChIKey OZUQRAAAHZSDON-ONEGZZNKSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiBXtruK10A
Name 2-(trans-But-2-en-1-yl)-5-(2-[1,3-dioxan-2-yl]-ethyl)-3-methyl-cyclohexanone
CAS Registry Number 88525-31-9
Comments reassigned
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Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-3-4-6-15-13(2)11-14(12-16(15)18)7-8-17-19-9-5-10-20-17/h3-4,13-15,17H,5-12H2,1-2H3/b4-3+
InChIKey OZUQRAAAHZSDON-ONEGZZNKSA-N
Instrument Name Bruker WH-90
Literature Reference B.B. Snider, W.C. Faith, J. Am. Chem. Soc. 106, 1443 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3