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2pzAvlTBWrV
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2pzAvlTBWrV
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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(1R,5R,7S)-METHYL-2-DICYANO-METHYLIDENE-8-OXABICYCLO-[3.2.1]-OCTAN-7-CARBOXYLATE

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(1R,5R,7S)-METHYL-2-DICYANO-METHYLIDENE-8-OXABICYCLO-[3.2.1]-OCTAN-7-CARBOXYLATE
SpectraBase Compound ID 1ceTl4EiXaA
InChI InChI=1S/C12H12N2O3/c1-16-12(15)10-4-8-2-3-9(11(10)17-8)7(5-13)6-14/h8,10-11H,2-4H2,1H3/t8-,10+,11+/m0/s1
InChIKey CDXUPKDCKJDCTH-JMJZKYOTSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pzAvlTBWrV
Name (1R,5R,7S)-METHYL-2-DICYANO-METHYLIDENE-8-OXABICYCLO-[3.2.1]-OCTAN-7-CARBOXYLATE
Compound Number 17B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-16-12(15)10-4-8-2-3-9(11(10)17-8)7(5-13)6-14/h8,10-11H,2-4H2,1H3/t8-,10+,11+/m0/s1
InChIKey CDXUPKDCKJDCTH-JMJZKYOTSA-N
Literature Reference Author M.KOTERA,K.ISHII,M.HIRAGA,M.SAKAMOTO
Literature Reference Citation HETEROCYCLES,51,2147(1999)
Literature Reference DOI 10.3987/COM-99-8570
Molecular Weight 232.239 g/mol
Solvent CDCl3
Source File Reference UWSW651
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