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2-CYANO-1-((1-CYANOPHENYL)-ETHYL)-2-(2-METHYLBENZOYL)-1,2-DIHYDROISOCHINOLIN
SpectraBase Compound ID FdGuxCMmNtc
InChI InChI=1S/C27H21N3O/c1-19-9-3-6-12-23(19)26(31)30-16-15-21-10-5-8-14-25(21)27(30,18-29)20(2)24-13-7-4-11-22(24)17-28/h3-16,20H,1-2H3
InChIKey JTSNTWYSRPFPNP-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C27H21N3O
Exact Mass 403.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kgcv1PUsJYw
Name 2-CYANO-1-((1-CYANOPHENYL)-ETHYL)-2-(2-METHYLBENZOYL)-1,2-DIHYDROISOCHINOLIN
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21N3O
InChI InChI=1S/C27H21N3O/c1-19-9-3-6-12-23(19)26(31)30-16-15-21-10-5-8-14-25(21)27(30,18-29)20(2)24-13-7-4-11-22(24)17-28/h3-16,20H,1-2H3
InChIKey JTSNTWYSRPFPNP-UHFFFAOYSA-N
Literature Reference Author E.REIMANN,W.ERDLE,C.WEIGL,K.POLBORN
Literature Reference Citation MH.CHEM.,130,313(1999)
Literature Reference DOI 10.1007/s007060050191
Molecular Weight 403.483 g/mol
Solvent CDCl3
Source File Reference UWMP727