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6,7-Bis[2-(methoxycarbonyl)ethyl]-.beta.,4-[.beta.'-(methoxycarbonyl)ethylene]-2-[2-(methoxycarbonyl)vinyl]-1,3,5,8-tetramethylporphyrin
SpectraBase Compound ID HyqJrRDJlSo
InChI InChI=1S/C40H42N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h9-10,13-14,17-20,42-43H,11-12,15-16H2,1-8H3/b13-9+,14-10+,29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20-
InChIKey BXGSHCHXZOEEPQ-HZCURZOXSA-N
Mol Weight 706.8 g/mol
Molecular Formula C40H42N4O8
Exact Mass 706.300264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DhyTOBbygU
Name 6,7-Bis[2-(methoxycarbonyl)ethyl]-.beta.,4-[.beta.'-(methoxycarbonyl)ethylene]-2-[2-(methoxycarbonyl)vinyl]-1,3,5,8-tetramethylporphyrin
CAS Registry Number 92284-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42N4O8
InChI InChI=1S/C40H42N4O8/c1-21-25(9-13-37(45)49-5)33-18-31-23(3)26(10-14-38(46)50-6)34(43-31)19-32-24(4)28(12-16-40(48)52-8)36(44-32)20-35-27(11-15-39(47)51-7)22(2)30(42-35)17-29(21)41-33/h9-10,13-14,17-20,42-43H,11-12,15-16H2,1-8H3/b13-9+,14-10+,29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20-
InChIKey BXGSHCHXZOEEPQ-HZCURZOXSA-N
Molecular Weight 706.796 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4\C=C\C(=O)OC)C)c(c3\C=C\C(=O)OC)C)c(c1CCC(=O)OC)C)CCC(=O)OC)C
SPLASH splash10-0a4i-0090047700-73b59382ab9ec7db9be4
Source of Spectrum J-49-4605-0
Synonyms 2,4-Bis[2-(methoxycarbonyl)ethenyl]-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5,8-tetrmethylporphyrin Methyl (2E)-3-[19-[(1E)-3-methoxy-3-oxo-1-propenyl]-10,14-bis(3-methoxy-3-oxopropyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]-2-propenoate
Wiley ID 1415221