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21H,23H-Porphine-2,18-dipropanoic acid, 3,17-dimethyl-, dimethyl ester

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

21H,23H-Porphine-2,18-dipropanoic acid, 3,17-dimethyl-, dimethyl ester
SpectraBase Compound ID Dsrmb6pB28f
InChI InChI=1S/C30H30N4O4/c1-17-23(9-11-29(35)37-3)27-16-28-24(10-12-30(36)38-4)18(2)26(34-28)15-22-8-6-20(32-22)13-19-5-7-21(31-19)14-25(17)33-27/h5-8,13-16,31,34H,9-12H2,1-4H3/b19-13-,20-13-,21-14-,22-15-,25-14-,26-15-,27-16-,28-16-
InChIKey HPSHEOLCWNVKBA-MXPOFBFFSA-N
Mol Weight 510.59 g/mol
Molecular Formula C30H30N4O4
Exact Mass 510.226705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nTWYRKp4GV
Name 21H,23H-Porphine-2,18-dipropanoic acid, 3,17-dimethyl-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.226705458 u
Formula C30H30N4O4
InChI InChI=1S/C30H30N4O4/c1-17-23(9-11-29(35)37-3)27-16-28-24(10-12-30(36)38-4)18(2)26(34-28)15-22-8-6-20(32-22)13-19-5-7-21(31-19)14-25(17)33-27/h5-8,13-16,31,34H,9-12H2,1-4H3/b19-13-,20-13-,21-14-,22-15-,25-14-,26-15-,27-16-,28-16-
InChIKey HPSHEOLCWNVKBA-MXPOFBFFSA-N
Molecular Weight 510.594 g/mol
SMILES C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C=C4)C=C3)C(=C1CCC(=O)OC)C