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1-[2-(1-Isopropoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Isopropoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether

View entire compound with spectra: 1 MS (GC)

1-[2-(1-Isopropoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Isopropoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether
SpectraBase Compound ID BRJB801p3sS
InChI InChI=1S/C78H94N8O11/c1-37(2)95-47(13)75-45(11)61-33-69-77(43(9)59(83-69)29-55-39(5)51(21-25-71(87)91-17)63(79-55)35-65-53(23-27-73(89)93-19)41(7)57(81-65)31-67(75)85-61)49(15)97-50(16)78-44(10)60-30-56-40(6)52(22-26-72(88)92-18)64(80-56)36-66-54(24-28-74(90)94-20)42(8)58(82-66)32-68-76(48(14)96-38(3)4)46(12)62(86-68)34-70(78)84-60/h29-38,47-50,81-84H,21-28H2,1-20H3/b55-29-,56-30-,57-31-,58-32-,59-29-,60-30-,61-33-,62-34-,63-35-,64-36-,65-35-,66-36-,67-31-,68-32-,69-33-,70-34-
InChIKey LUVCCQJBKDPSTC-CESMXFLTSA-N
Mol Weight 1319.7 g/mol
Molecular Formula C78H94N8O11
Exact Mass 1318.704206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UzCojhPoME
Name 1-[2-(1-Isopropoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Isopropoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C78H94N8O11
InChI InChI=1S/C78H94N8O11/c1-37(2)95-47(13)75-45(11)61-33-69-77(43(9)59(83-69)29-55-39(5)51(21-25-71(87)91-17)63(79-55)35-65-53(23-27-73(89)93-19)41(7)57(81-65)31-67(75)85-61)49(15)97-50(16)78-44(10)60-30-56-40(6)52(22-26-72(88)92-18)64(80-56)36-66-54(24-28-74(90)94-20)42(8)58(82-66)32-68-76(48(14)96-38(3)4)46(12)62(86-68)34-70(78)84-60/h29-38,47-50,81-84H,21-28H2,1-20H3/b55-29-,56-30-,57-31-,58-32-,59-29-,60-30-,61-33-,62-34-,63-35-,64-36-,65-35-,66-36-,67-31-,68-32-,69-33-,70-34-
InChIKey LUVCCQJBKDPSTC-CESMXFLTSA-N
Molecular Weight 1319.655 g/mol
SMILES [nH]1c2c(C(OC(c3c4cc5nc(cc6c(c(c(cc7nc(cc(c3C)[nH]4)c(c7CCC(=O)OC)C)[nH]6)CCC(=O)OC)C)c(c5C)C(OC(C)C)C)C)C)c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4C(OC(C)C)C)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C
SPLASH splash10-0gb9-0019007000-2e5cb8ce576c7e87087d
Source of Spectrum B-44-411-0
Synonyms compound37 Methyl 3-[10-(1-{1-[10,14-bis(3-methoxy-3-oxopropyl)-5,9,15,20-tetramethyl-19-[1-(propan-2-yloxy)ethyl]-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]ethoxy}ethyl)-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-15-[1-(propan-2-yloxy)ethyl]-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 1418793