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5,11-Bis(4-tolyl)-4,12-bis(4-tolylamino)-5,11-diaza-tricyclo(7.3.0.0/3,7/)dodeca-3,6,9,12-tetraene-2,8-dione
SpectraBase Compound ID BGsDYDNhRn3
InChI InChI=1S/C38H32N4O2/c1-23-5-13-27(14-6-23)39-37-33-31(21-41(37)29-17-9-25(3)10-18-29)35(43)32-22-42(30-19-11-26(4)12-20-30)38(34(32)36(33)44)40-28-15-7-24(2)8-16-28/h5-22,39-40H,1-4H3
InChIKey ACMYUQODKDPEQI-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C38H32N4O2
Exact Mass 576.252526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRygiDczIOe
Name 5,11-Bis(4-tolyl)-4,12-bis(4-tolylamino)-5,11-diaza-tricyclo(7.3.0.0/3,7/)dodeca-3,6,9,12-tetraene-2,8-dione
CAS Registry Number 79482-92-1
Comments SHIFT OF 114.4 PPM REPORTED FOR C5 AND C9 MUST BE IN ERROR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H32N4O2
InChI InChI=1S/C38H32N4O2/c1-23-5-13-27(14-6-23)39-37-33-31(21-41(37)29-17-9-25(3)10-18-29)35(43)32-22-42(30-19-11-26(4)12-20-30)38(34(32)36(33)44)40-28-15-7-24(2)8-16-28/h5-22,39-40H,1-4H3
InChIKey ACMYUQODKDPEQI-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference W. Ott, V. Formacek, Angew. Chem. 93, 1014 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3