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2,4-bis(2-acetoxyethyl)-7-[2-(methoxycarbonyl)ethyl]-1,3,5,8-tetramehylporphyrin-6-carboxylic acid
SpectraBase Compound ID 3IJYjdZpd7j
InChI InChI=1S/C37H40N4O8/c1-18-24(8-9-35(44)47-7)33-17-34-36(37(45)46)21(4)30(41-34)16-32-26(11-13-49-23(6)43)20(3)29(40-32)15-31-25(10-12-48-22(5)42)19(2)28(38-31)14-27(18)39-33/h14-17,39-40H,8-13H2,1-7H3,(H,45,46)/b27-14-,28-14-,29-15-,30-16-,31-15-,32-16-,33-17-,34-17-
InChIKey CAGHLAFDUKAZFK-SRKXXRNDSA-N
Mol Weight 668.7 g/mol
Molecular Formula C37H40N4O8
Exact Mass 668.284614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DGDTdzg6K5
Name 2,4-bis(2-acetoxyethyl)-7-[2-(methoxycarbonyl)ethyl]-1,3,5,8-tetramehylporphyrin-6-carboxylic acid
Alternate Name(s) 9,14-bis[2-(acetyloxy)ethyl]-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-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-undecaene-4-carboxylic acid
CAS Registry Number 100046-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N4O8
InChI InChI=1S/C37H40N4O8/c1-18-24(8-9-35(44)47-7)33-17-34-36(37(45)46)21(4)30(41-34)16-32-26(11-13-49-23(6)43)20(3)29(40-32)15-31-25(10-12-48-22(5)42)19(2)28(38-31)14-27(18)39-33/h14-17,39-40H,8-13H2,1-7H3,(H,45,46)/b27-14-,28-14-,29-15-,30-16-,31-15-,32-16-,33-17-,34-17-
InChIKey CAGHLAFDUKAZFK-SRKXXRNDSA-N
Molecular Weight 668.747 g/mol
SMILES [nH]1c2cc3nc(c(C(=O)O)c3C)cc3c(c(c(cc4c(c(c(cc1c(c2CCOC(=O)C)C)n4)CCOC(=O)C)C)[nH]3)C)CCC(=O)OC
SPLASH splash10-01b9-0000009000-651d0f1a056afbe6994f
Source of Spectrum J-51-663-21
Wiley ID 1413853