For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Dimethyl 2,7,12,18-tetramethyl-3,8-di(1-cyclohexyloxyethyl)-21H,23H-porphine-13,17-dipropionate

View entire compound with spectra: 1 NMR

Dimethyl 2,7,12,18-tetramethyl-3,8-di(1-cyclohexyloxyethyl)-21H,23H-porphine-13,17-dipropionate
SpectraBase Compound ID 4GySw0O1Gyd
InChI InChI=1S/C48H62N4O6/c1-27-35(19-21-45(53)55-7)42-24-39-29(3)47(31(5)57-33-15-11-9-12-16-33)44(51-39)26-40-30(4)48(32(6)58-34-17-13-10-14-18-34)43(52-40)25-38-28(2)36(20-22-46(54)56-8)41(50-38)23-37(27)49-42/h23-26,31-34,50-51H,9-22H2,1-8H3/b37-23-,38-25-,39-24-,40-26-,41-23-,42-24-,43-25-,44-26-
InChIKey XBVSIZMJLACXFN-TZWSUEDQSA-N
Mol Weight 791.0 g/mol
Molecular Formula C48H62N4O6
Exact Mass 790.466936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EF7ijhYXEtp
Name Dimethyl 2,7,12,18-tetramethyl-3,8-di(1-cyclohexyloxyethyl)-21H,23H-porphine-13,17-dipropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 790.466935726 u
Formula C48H62N4O6
InChI InChI=1S/C48H62N4O6/c1-27-35(19-21-45(53)55-7)42-24-39-29(3)47(31(5)57-33-15-11-9-12-16-33)44(51-39)26-40-30(4)48(32(6)58-34-17-13-10-14-18-34)43(52-40)25-38-28(2)36(20-22-46(54)56-8)41(50-38)23-37(27)49-42/h23-26,31-34,50-51H,9-22H2,1-8H3/b37-23-,38-25-,39-24-,40-26-,41-23-,42-24-,43-25-,44-26-
InChIKey XBVSIZMJLACXFN-TZWSUEDQSA-N
Molecular Weight 791.046 g/mol
SMILES C1=2NC(=CC3=NC(=CC4=C(C(=C(C=C5N=C(C2)C(=C5C(OC2CCCCC2)C)C)N4)C)CCC(OC)=O)C(=C3CCC(OC)=O)C)C(=C1C(OC1CCCCC1)C)C