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1-Methoxycarbonyl-2-methoxymethyl-4-octyl-1,4-cyclohexadiene
SpectraBase Compound ID 2xkELCmwYfE
InChI InChI=1S/C18H30O3/c1-4-5-6-7-8-9-10-15-11-12-17(18(19)21-3)16(13-15)14-20-2/h11H,4-10,12-14H2,1-3H3
InChIKey OLIDOQLHMVKIPF-UHFFFAOYSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zpEBWa1utK
Name 1-Methoxycarbonyl-2-methoxymethyl-4-octyl-1,4-cyclohexadiene
CAS Registry Number 112069-41-7
Comments LOW FIELD SHIFTS,SIGNALS ARE INTERCHANGEABLE WITH 2-METHOXYCARBONYL- 1-METHOXYMETHYL COMPOUND, REASSIGNED A.H. - LINE AT 58.40 IS CHANGED TO 28.40 PPM AND LINE AT 52.90 IS CHANGED TO 32.90 PPM
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Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-4-5-6-7-8-9-10-15-11-12-17(18(19)21-3)16(13-15)14-20-2/h11H,4-10,12-14H2,1-3H3
InChIKey OLIDOQLHMVKIPF-UHFFFAOYSA-N
Literature Reference K.J. Shea, L.D. Burke, W.P. England, J. Am. Chem. Soc. 110, 860 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3