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METHYL-8-CHLORO-3-OXO-2-OXABICYCLO-[2.2.2]-OCT-7-ENE-6-EXO-CARBOXYLATE
SpectraBase Compound ID BDtXGqe4y5p
InChI InChI=1S/C9H9ClO4/c1-13-8(11)5-2-4-6(10)3-7(5)14-9(4)12/h3-5,7H,2H2,1H3/t4-,5+,7-/m1/s1
InChIKey SCKWAAZUUBEPQR-JCGDXUMPSA-N
Mol Weight 216.62 g/mol
Molecular Formula C9H9ClO4
Exact Mass 216.018936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxN2POhIucA
Name METHYL-8-CHLORO-3-OXO-2-OXABICYCLO-[2.2.2]-OCT-7-ENE-6-EXO-CARBOXYLATE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9ClO4
InChI InChI=1S/C9H9ClO4/c1-13-8(11)5-2-4-6(10)3-7(5)14-9(4)12/h3-5,7H,2H2,1H3/t4-,5+,7-/m1/s1
InChIKey SCKWAAZUUBEPQR-JCGDXUMPSA-N
Literature Reference Author K.AFARINKIA,M.J.BEARPARK,A.NDIBWAMI
Literature Reference Citation J.ORG.CHEM.,68,7158(2003)
Literature Reference DOI 10.1021/jo0348827
Molecular Weight 216.621 g/mol
Solvent CDCl3
Source File Reference UWMS26404