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1-[2-Ethyl-1,3,5,8-tetramethyl-6,7-Bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-Ethyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .beta.-isomer

View entire compound with spectra: 1 MS (GC)

1-[2-Ethyl-1,3,5,8-tetramethyl-6,7-Bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-Ethyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .beta.-isomer
SpectraBase Compound ID 4JwPssfyaL5
InChI InChI=1S/C72H82N8O9/c1-17-45-35(3)55-31-65-71(41(9)57(79-65)27-51-37(5)47(19-23-67(81)85-13)61(75-51)33-63-49(21-25-69(83)87-15)39(7)53(77-63)29-59(45)73-55)43(11)89-44(12)72-42(10)58-28-52-38(6)48(20-24-68(82)86-14)62(76-52)34-64-50(22-26-70(84)88-16)40(8)54(78-64)30-60-46(18-2)36(4)56(74-60)32-66(72)80-58/h27-34,43-44,77-80H,17-26H2,1-16H3/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-29-,60-30-,61-33-,62-34-,63-33-,64-34-,65-31-,66-32-/t43-,44-/m1/s1
InChIKey IWRAWQSYOBYCFY-PVEJVXOMSA-N
Mol Weight 1203.5 g/mol
Molecular Formula C72H82N8O9
Exact Mass 1202.620476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wk920zMgK9
Name 1-[2-Ethyl-1,3,5,8-tetramethyl-6,7-Bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-Ethyl-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .beta.-isomer
Alternate Name(s) methyl 3-{15-ethyl-10-[(1R)-1-[(1R)-1-[19-ethyl-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-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethoxy]ethyl]-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-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
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H82N8O9
InChI InChI=1S/C72H82N8O9/c1-17-45-35(3)55-31-65-71(41(9)57(79-65)27-51-37(5)47(19-23-67(81)85-13)61(75-51)33-63-49(21-25-69(83)87-15)39(7)53(77-63)29-59(45)73-55)43(11)89-44(12)72-42(10)58-28-52-38(6)48(20-24-68(82)86-14)62(76-52)34-64-50(22-26-70(84)88-16)40(8)54(78-64)30-60-46(18-2)36(4)56(74-60)32-66(72)80-58/h27-34,43-44,77-80H,17-26H2,1-16H3/b51-27-,52-28-,53-29-,54-30-,55-31-,56-32-,57-27-,58-28-,59-29-,60-30-,61-33-,62-34-,63-33-,64-34-,65-31-,66-32-/t43-,44-/m1/s1
InChIKey IWRAWQSYOBYCFY-PVEJVXOMSA-N
Molecular Weight 1203.495 g/mol
SMILES [nH]1c2c([C@](O[C@@](c3c4cc5nc(cc6c(c(c(cc7nc(cc(c3C)[nH]4)c(c7CCC(=O)OC)C)[nH]6)CCC(=O)OC)C)c(c5C)CC)(C)[H])(C)[H])c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CC)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C
SPLASH splash10-0udl-0090050000-f49de22df4aef4a55883
Source of Spectrum B-44-423-30
Wiley ID 1418717