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1-(2-ACETYLBENZYL)-3-METHYL-2-(4-TOLUOYL)-1,2-DIHYDROISOQUINOLINE-1-CARBONITRILE
SpectraBase Compound ID ILM8tBUxt7T
InChI InChI=1S/C28H24N2O2/c1-19-12-14-22(15-13-19)27(32)30-20(2)16-23-8-5-7-11-26(23)28(30,18-29)17-24-9-4-6-10-25(24)21(3)31/h4-16H,17H2,1-3H3
InChIKey PXNIUQVGFDYOQY-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C28H24N2O2
Exact Mass 420.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxspH40Tny8
Name 1-(2-ACETYLBENZYL)-3-METHYL-2-(4-TOLUOYL)-1,2-DIHYDROISOQUINOLINE-1-CARBONITRILE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24N2O2
InChI InChI=1S/C28H24N2O2/c1-19-12-14-22(15-13-19)27(32)30-20(2)16-23-8-5-7-11-26(23)28(30,18-29)17-24-9-4-6-10-25(24)21(3)31/h4-16H,17H2,1-3H3
InChIKey PXNIUQVGFDYOQY-UHFFFAOYSA-N
Literature Reference Author E.REIMANN,R.HERTEL,J.KRAUSS
Literature Reference Citation MH.CHEM.,139,673(2008)
Literature Reference DOI 10.1007/s00706-007-0826-8
Molecular Weight 420.511 g/mol
Sample ID 39772
Solvent CDCl3