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1,14-(2,2-Dicyanopropane-1,3-diyl)-2,7,12-tris(2-meo-carbonylet)-3,8,13-tris(meo-carbonylme)-10,15,16,17-tet-H-tripyrrin
SpectraBase Compound ID 2xs07p1qcO7
InChI InChI=1S/C40H47N5O12/c1-52-34(46)10-7-22-25(13-37(49)55-4)30-17-29-23(8-11-35(47)53-2)27(15-39(51)57-6)33(44-29)19-40(20-41,21-42)18-32-24(9-12-36(48)54-3)26(14-38(50)56-5)31(45-32)16-28(22)43-30/h43-45H,7-19H2,1-6H3
InChIKey CVPMAMSLLOXOFH-UHFFFAOYSA-N
Mol Weight 789.8 g/mol
Molecular Formula C40H47N5O12
Exact Mass 789.322122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hlw0SnVQYdv
Name 1,14-(2,2-Dicyanopropane-1,3-diyl)-2,7,12-tris(2-meo-carbonylet)-3,8,13-tris(meo-carbonylme)-10,15,16,17-tet-H-tripyrrin
CAS Registry Number 101210-37-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H47N5O12
InChI InChI=1S/C40H47N5O12/c1-52-34(46)10-7-22-25(13-37(49)55-4)30-17-29-23(8-11-35(47)53-2)27(15-39(51)57-6)33(44-29)19-40(20-41,21-42)18-32-24(9-12-36(48)54-3)26(14-38(50)56-5)31(45-32)16-28(22)43-30/h43-45H,7-19H2,1-6H3
InChIKey CVPMAMSLLOXOFH-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference W.M. Stark, M.G. Baker, A.R. Battersby, J. Chem. Soc. Perkin I 1187 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3