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1'-methylspiro[1,5-dihydro-2,4-benzodioxepine-3,2'-cyclopropane]-1'-carbonitrile
SpectraBase Compound ID 54cRClW3Q8Y
InChI InChI=1S/C13H13NO2/c1-12(9-14)8-13(12)15-6-10-4-2-3-5-11(10)7-16-13/h2-5H,6-8H2,1H3
InChIKey OETVAOXLKNIBHG-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jANqLb6C43
Name 1'-methylspiro[1,5-dihydro-2,4-benzodioxepine-3,2'-cyclopropane]-1'-carbonitrile
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-12(9-14)8-13(12)15-6-10-4-2-3-5-11(10)7-16-13/h2-5H,6-8H2,1H3
InChIKey OETVAOXLKNIBHG-UHFFFAOYSA-N
Literature Reference Author F.ROYER,F.X.FELPIN,E.DORIS
Literature Reference Citation J.ORG.CHEM.,66,6487(2001)
Literature Reference DOI 10.1021/jo0104227
Molecular Weight 215.252 g/mol
Solvent CDCl3
Source File Reference UWVN24792