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2-(3-CHLOROPROPYL)-3-EXO,5-EXO-DIMETHYL-8,9,10,11-TETRAOXATRICYCLO-[5.2.1.1(2,6)]-UNDECAN-4-ONE
SpectraBase Compound ID HVXkaBdMsXa
InChI InChI=1S/C12H17ClO5/c1-6-8(14)7(2)12(4-3-5-13)11-15-10(17-18-11)9(6)16-12/h6-7,9-11H,3-5H2,1-2H3/t6-,7+,9+,10+,11-,12-/m0/s1
InChIKey PYALCGFECJDLMW-MLVRBBBSSA-N
Mol Weight 276.72 g/mol
Molecular Formula C12H17ClO5
Exact Mass 276.076451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iThr2Brw0I
Name 2-(3-CHLOROPROPYL)-3-EXO,5-EXO-DIMETHYL-8,9,10,11-TETRAOXATRICYCLO-[5.2.1.1(2,6)]-UNDECAN-4-ONE
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17ClO5
InChI InChI=1S/C12H17ClO5/c1-6-8(14)7(2)12(4-3-5-13)11-15-10(17-18-11)9(6)16-12/h6-7,9-11H,3-5H2,1-2H3/t6-,7+,9+,10+,11-,12-/m0/s1
InChIKey PYALCGFECJDLMW-MLVRBBBSSA-N
Literature Reference Author L.C.D.A.BARBOSA,D.CUTLER,J.MANN,M.J.CRABBE,G.C.KIRBY,D.C.WAR HURST
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1101(1996)
Literature Reference DOI 10.1039/p19960001101
Molecular Weight 276.717 g/mol
Solvent CDCl3
Source File Reference UWCS20612