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METHYL-8-CHLORO-5-ENDO-CYANO-2-OXABICYCLO-[2.2.2]-OCT-7-EN-3-ONE
SpectraBase Compound ID CNcURdjaDgO
InChI InChI=1S/C8H6ClNO2/c9-6-2-5-1-4(3-10)7(6)8(11)12-5/h2,4-5,7H,1H2/t4-,5+,7-/m1/s1
InChIKey ADUAOOBVRLIYEX-JCGDXUMPSA-N
Mol Weight 183.59 g/mol
Molecular Formula C8H6ClNO2
Exact Mass 183.008706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6s45vjAOoo3
Name METHYL-8-CHLORO-5-ENDO-CYANO-2-OXABICYCLO-[2.2.2]-OCT-7-EN-3-ONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6ClNO2
InChI InChI=1S/C8H6ClNO2/c9-6-2-5-1-4(3-10)7(6)8(11)12-5/h2,4-5,7H,1H2/t4-,5+,7-/m1/s1
InChIKey ADUAOOBVRLIYEX-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 183.594 g/mol
Solvent CDCl3
Source File Reference UWMS26409