John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6iq6lGmo08z SpectraBase Spectrum ID=8l0lPbVWkUC

(accessed ).
(1RS,2RS,8RS,9SR)-4,6,11-TRIOXACYCLO-[7.3.0.0(2,8)]-DODECAN-12-ONE
SpectraBase Compound ID 6iq6lGmo08z
InChI InChI=1S/C9H12O4/c10-9-8-6-2-12-4-11-1-5(6)7(8)3-13-9/h5-8H,1-4H2/t5-,6-,7+,8-/m1/s1
InChIKey BOKPTBKDRHXQLH-OOJXKGFFSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8l0lPbVWkUC
Name (1RS,2RS,8RS,9SR)-4,6,11-TRIOXACYCLO-[7.3.0.0(2,8)]-DODECAN-12-ONE
Compound Number 14B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c10-9-8-6-2-12-4-11-1-5(6)7(8)3-13-9/h5-8H,1-4H2/t5-,6-,7+,8-/m1/s1
InChIKey BOKPTBKDRHXQLH-OOJXKGFFSA-N
Literature Reference Author S.PARES,P.D.MARCH,J.FONT,R.ALIBES,M.FIGUEREDO
Literature Reference Citation EUR.J.ORG.CHEM.,2011,3888(2011)
Literature Reference DOI 10.1002/ejoc.201100067
Molecular Weight 184.192 g/mol
Solvent CDCl3
Source File Reference UWBT20879
SpectraBase Batch ID 7SbZaOokWio