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Coproporphyrin-I tetramethyl ester dication

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Coproporphyrin-I tetramethyl ester dication
SpectraBase Compound ID 82LcgxEuHCG
InChI InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/p+2/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-
InChIKey OVYASYKFNWTMII-QEMHYRKZSA-P
Mol Weight 712.8 g/mol
Molecular Formula C40H48N4O8
Exact Mass 712.347215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6621UA62QNE
Name Coproporphyrin-I tetramethyl ester dication
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H48N4O8
InChI InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/p+2/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-
InChIKey OVYASYKFNWTMII-QEMHYRKZSA-P
Instrument Name Varian XL-100
Literature Reference R.J. Abraham, G.E. Hawkes, K.M.Smith, J. Chem. Soc. Perkin II 627 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH