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4-[(2'S,8R)-9-ketospiro[6,7-dihydro-5H-benzo[7]annulene-8,3'-oxirane]-2'-yl]benzonitrile
SpectraBase Compound ID 4rtDvbC2jEJ
InChI InChI=1S/C19H15NO2/c20-12-13-7-9-15(10-8-13)18-19(22-18)11-3-5-14-4-1-2-6-16(14)17(19)21/h1-2,4,6-10,18H,3,5,11H2/t18-,19-/m0/s1
InChIKey QXVROOZATHCECI-OALUTQOASA-N
Mol Weight 289.33 g/mol
Molecular Formula C19H15NO2
Exact Mass 289.110279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqD53X9CsRr
Name 4-[(2'S,8R)-9-ketospiro[6,7-dihydro-5H-benzo[7]annulene-8,3'-oxirane]-2'-yl]benzonitrile
Compound Number TRANS-5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H15NO2
InChI InChI=1S/C19H15NO2/c20-12-13-7-9-15(10-8-13)18-19(22-18)11-3-5-14-4-1-2-6-16(14)17(19)21/h1-2,4,6-10,18H,3,5,11H2/t18-,19-/m0/s1
InChIKey QXVROOZATHCECI-OALUTQOASA-N
Literature Reference Author G.TOTH,J.HALASZ,S.BOROS,A.LEVAI,C.NEMES,T.PATONAY
Literature Reference Citation MAGN.RES.CHEM.,34,932(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199611)34:11<932::aid-omr978>3.0.co;2-3
Molecular Weight 289.334 g/mol
Solvent CDCl3
Source File Reference UWCP480