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Coproporphyrin III tetramethyl ester

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Coproporphyrin III tetramethyl ester
SpectraBase Compound ID DV5ixOV635k
InChI InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20-
InChIKey LBHYIBKOOKXTGC-LHPWBCDESA-N
Mol Weight 710.8 g/mol
Molecular Formula C40H46N4O8
Exact Mass 710.331564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5T48kiA50XB
Name Coproporphyrin-iii tetramethyl ester
CAS Registry Number 5522-63-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H46N4O8
InChI InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20-
InChIKey LBHYIBKOOKXTGC-LHPWBCDESA-N
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 CDCl3