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5,10,15,20-Tetraundecyl-porphine

View entire compound with spectra: 1 NMR

5,10,15,20-Tetraundecyl-porphine
SpectraBase Compound ID B138IGg5giS
InChI InChI=1S/C64H102N4/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-47-59(65-57)54(42-38-34-30-26-22-18-14-10-6-2)61-49-51-63(67-61)56(44-40-36-32-28-24-20-16-12-8-4)64-52-50-62(68-64)55(60-48-46-58(53)66-60)43-39-35-31-27-23-19-15-11-7-3/h45-52,65,68H,5-44H2,1-4H3/b57-53-,58-53-,59-54-,60-55-,61-54-,62-55-,63-56-,64-56-
InChIKey FLNCSWANDKYKJE-MQBWUZRWSA-N
Mol Weight 927.5 g/mol
Molecular Formula C64H102N4
Exact Mass 926.810449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hdt9pdrtQqW
Name 5,10,15,20-Tetraundecyl-porphine
CAS Registry Number 22220-19-5
Comments SHIFTCOORECTION: -0.2 PPM, SHIFTVALUE FROM C29,C39,C49 AND C59 IS CHANGED FROM 29.91 TO 31.91 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C64H102N4
InChI InChI=1S/C64H102N4/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-47-59(65-57)54(42-38-34-30-26-22-18-14-10-6-2)61-49-51-63(67-61)56(44-40-36-32-28-24-20-16-12-8-4)64-52-50-62(68-64)55(60-48-46-58(53)66-60)43-39-35-31-27-23-19-15-11-7-3/h45-52,65,68H,5-44H2,1-4H3/b57-53-,58-53-,59-54-,60-55-,61-54-,62-55-,63-56-,64-56-
InChIKey FLNCSWANDKYKJE-MQBWUZRWSA-N
Instrument Name Varian XL-100
Literature Reference J.H. Fuhrhop, M. Bacchouche, Liebigs Ann. Chem. 2058 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3