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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjziEUTqcAb
Name 21H,23H-Porphine-2,8-dipropanoic acid, 3,7-dimethyl-, dimethyl ester
CAS Registry Number 76003-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N4O4
InChI InChI=1S/C30H30N4O4/c1-17-23(9-11-29(35)37-3)27-14-21-7-5-19(31-21)13-20-6-8-22(32-20)15-28-24(10-12-30(36)38-4)18(2)26(34-28)16-25(17)33-27/h5-8,13-16,31,34H,9-12H2,1-4H3/b19-13-,20-13-,21-14-,22-15-,25-16-,26-16-,27-14-,28-15-
InChIKey PRBTUJUJLCLSJG-OCXVXLLXSA-N
Molecular Weight 510.594 g/mol
SMILES [nH]1c2ccc1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCC(=O)OC)c(c3CCC(=O)OC)C)cc1
SPLASH splash10-03di-0005790000-153c30c5feee753d615f
Source of Spectrum F-36-1837-0
Synonyms 12,17-Dimethyl-13,18-di(2'-methoxycarbonylethyl)porphin Methyl 3-[10-(3-methoxy-3-oxopropyl)-5,9-dimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate
Wiley ID 1400541