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21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-3,8,13,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID LPQfIsrkU14
InChI InChI=1S/C34H36N4O4/c1-8-23-19(3)27-14-22-13-18(2)26(35-22)15-28-20(4)24(9-11-33(39)41-6)31(37-28)17-32-25(10-12-34(40)42-7)21(5)29(38-32)16-30(23)36-27/h8,13-17,35,38H,1,9-12H2,2-7H3/b22-14-,26-15-,27-14-,28-15-,29-16-,30-16-,31-17-,32-17-
InChIKey KUXRIWWCFXJLCK-STIQKAKHSA-N
Mol Weight 564.7 g/mol
Molecular Formula C34H36N4O4
Exact Mass 564.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JeHwgFUvTy
Name 21H,23H-Porphine-2,18-dipropanoic acid, 7-ethenyl-3,8,13,17-tetramethyl-, dimethyl ester
Alternate Name(s) 2,18-Porphinedipropionic acid, 3,8,13,17-tetramethyl-7-vinyl-, dimethyl ester 6,7-bis(2-methoxycarbonylethyl)-1,3,5,8-tetramethyl-4-vinylporphyrin Dimethyl ester of pemptoporphyrin Methyl 3-[20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-9-vinyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate
CAS Registry Number 17467-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36N4O4
InChI InChI=1S/C34H36N4O4/c1-8-23-19(3)27-14-22-13-18(2)26(35-22)15-28-20(4)24(9-11-33(39)41-6)31(37-28)17-32-25(10-12-34(40)42-7)21(5)29(38-32)16-30(23)36-27/h8,13-17,35,38H,1,9-12H2,2-7H3/b22-14-,26-15-,27-14-,28-15-,29-16-,30-16-,31-17-,32-17-
InChIKey KUXRIWWCFXJLCK-STIQKAKHSA-N
Molecular Weight 564.686 g/mol
SMILES [nH]1c2c(cc1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C)C=C)C
SPLASH splash10-03di-0000290000-a8a166e62a1c64923887
Source of Spectrum C-105-6643-0
Wiley ID 1407170