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1-(4-TOLYL)-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXACINE-5-CARBONITRILE
SpectraBase Compound ID 5fgPEZGBCGe
InChI InChI=1S/C18H18N2O/c1-14-6-8-15(9-7-14)18-17-5-3-2-4-16(17)12-20(13-19)10-11-21-18/h2-9,18H,10-12H2,1H3
InChIKey TWHJKIFQIQWVHT-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoCJD4du08R
Name 1-(4-TOLYL)-3,4,5,6-TETRAHYDRO-1H-2,5-BENZOXACINE-5-CARBONITRILE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-14-6-8-15(9-7-14)18-17-5-3-2-4-16(17)12-20(13-19)10-11-21-18/h2-9,18H,10-12H2,1H3
InChIKey TWHJKIFQIQWVHT-UHFFFAOYSA-N
Literature Reference Author A.E.ROSAMILIA,P.A.MAYES,R.PAPADOPOULOS,E.M.CAMPI,W.R.JACKSON ,L.RASH,B.JARROTT
Literature Reference Citation AUSTR.J.CHEM.,55,577(2002)
Literature Reference DOI 10.1071/CH02097
Molecular Weight 278.354 g/mol
Solvent CDCl3
Source File Reference UWKP3333