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2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin-5-(2,2-ethylenedicarboxylic acid, dimethyl ester)
SpectraBase Compound ID LEgLfyiCqSM
InChI InChI=1S/C42H52N4O4/c1-11-23-25(13-3)35-21-37-27(15-5)29(17-7)39(45-37)31(19-32(41(47)49-9)42(48)50-10)40-30(18-8)28(16-6)38(46-40)22-36-26(14-4)24(12-2)34(44-36)20-33(23)43-35/h19-22,43,46H,11-18H2,1-10H3/b33-20-,34-20-,35-21-,36-22-,37-21-,38-22-,39-31-,40-31-
InChIKey XBQMKHJAALHNST-CSAVVEKXSA-N
Mol Weight 676.9 g/mol
Molecular Formula C42H52N4O4
Exact Mass 676.398856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82Y0440zow8
Name 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin-5-(2,2-ethylenedicarboxylic acid, dimethyl ester)
CAS Registry Number 61354-63-0
Comments C13-SHIFTS OF PYRROL-C 140.66-144.96 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H52N4O4
InChI InChI=1S/C42H52N4O4/c1-11-23-25(13-3)35-21-37-27(15-5)29(17-7)39(45-37)31(19-32(41(47)49-9)42(48)50-10)40-30(18-8)28(16-6)38(46-40)22-36-26(14-4)24(12-2)34(44-36)20-33(23)43-35/h19-22,43,46H,11-18H2,1-10H3/b33-20-,34-20-,35-21-,36-22-,37-21-,38-22-,39-31-,40-31-
InChIKey XBQMKHJAALHNST-CSAVVEKXSA-N
Instrument Name Varian XL-100
Literature Reference J.H. Fuhrhop, L. Witte, Justus, Liebigs Ann. Chem. 1537 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H2Cl4