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

*Links on SpectraBase are not permalinks.

Dimethyl 3,3'-[2''-(dimethylcarbamoylmethyl)-3''-ethyl-2'',7'',12'',18''-tetramethyl-2'',3''-dihydro-21H.23H-porphyrin-13'',17''-diyl]-dipropionate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dimethyl 3,3'-[2''-(dimethylcarbamoylmethyl)-3''-ethyl-2'',7'',12'',18''-tetramethyl-2'',3''-dihydro-21H.23H-porphyrin-13'',17''-diyl]-dipropionate
SpectraBase Compound ID BwoniYZwnZ3
InChI InChI=1S/C38H47N5O5/c1-10-27-33-17-28-21(2)15-24(39-28)16-29-22(3)25(11-13-36(45)47-8)31(40-29)18-32-26(12-14-37(46)48-9)23(4)30(41-32)19-34(42-33)38(27,5)20-35(44)43(6)7/h15-19,27,40,42H,10-14,20H2,1-9H3/b24-16-,32-18-,33-17-,34-19-/t27?,38-/m0/s1
InChIKey JYATXMZSDHWCGS-WFHVNZHESA-N
Mol Weight 653.8 g/mol
Molecular Formula C38H47N5O5
Exact Mass 653.35772 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 IfBOBWu6GQG
Name Dimethyl 3,3'-[2''-(dimethylcarbamoylmethyl)-3''-ethyl-2'',7'',12'',18''-tetramethyl-2'',3''-dihydro-21H.23H-porphyrin-13'',17''-diyl]-dipropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 653.357719628 u
Formula C38H47N5O5
InChI InChI=1S/C38H47N5O5/c1-10-27-33-17-28-21(2)15-24(39-28)16-29-22(3)25(11-13-36(45)47-8)31(40-29)18-32-26(12-14-37(46)48-9)23(4)30(41-32)19-34(42-33)38(27,5)20-35(44)43(6)7/h15-19,27,40,42H,10-14,20H2,1-9H3/b24-16-,32-18-,33-17-,34-19-/t27?,38-/m0/s1
InChIKey JYATXMZSDHWCGS-WFHVNZHESA-N
Molecular Weight 653.824 g/mol
SMILES C=12N=C(C=C3[C@](C(CC)C(N3)=CC3=NC(=CC=4NC(C1)=C(C4C)CCC(=O)OC)C=C3C)(CC(N(C)C)=O)C)C(=C2CCC(=O)OC)C