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1-[2-(1-Butoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Butoxyethyl)-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-Butoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Butoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether
SpectraBase Compound ID 8ptjSsb0Zxa
InChI InChI=1S/C80H98N8O11/c1-19-21-31-97-49(11)77-45(7)63-37-71-79(47(9)61(85-71)33-57-41(3)53(23-27-73(89)93-15)65(81-57)39-67-55(25-29-75(91)95-17)43(5)59(83-67)35-69(77)87-63)51(13)99-52(14)80-48(10)62-34-58-42(4)54(24-28-74(90)94-16)66(82-58)40-68-56(26-30-76(92)96-18)44(6)60(84-68)36-70-78(50(12)98-32-22-20-2)46(8)64(88-70)38-72(80)86-62/h33-40,49-52,83-86H,19-32H2,1-18H3/b57-33-,58-34-,59-35-,60-36-,61-33-,62-34-,63-37-,64-38-,65-39-,66-40-,67-39-,68-40-,69-35-,70-36-,71-37-,72-38-
InChIKey WCIWTDZUHGMIRU-AWGSMRKZSA-N
Mol Weight 1347.7 g/mol
Molecular Formula C80H98N8O11
Exact Mass 1346.735506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoTuu8725zd
Name 1-[2-(1-Butoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Butoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether
Alternate Name(s) compound36 Methyl 3-[15-(1-butoxyethyl)-10-(1-{1-[19-(1-butoxyethyl)-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C80H98N8O11
InChI InChI=1S/C80H98N8O11/c1-19-21-31-97-49(11)77-45(7)63-37-71-79(47(9)61(85-71)33-57-41(3)53(23-27-73(89)93-15)65(81-57)39-67-55(25-29-75(91)95-17)43(5)59(83-67)35-69(77)87-63)51(13)99-52(14)80-48(10)62-34-58-42(4)54(24-28-74(90)94-16)66(82-58)40-68-56(26-30-76(92)96-18)44(6)60(84-68)36-70-78(50(12)98-32-22-20-2)46(8)64(88-70)38-72(80)86-62/h33-40,49-52,83-86H,19-32H2,1-18H3/b57-33-,58-34-,59-35-,60-36-,61-33-,62-34-,63-37-,64-38-,65-39-,66-40-,67-39-,68-40-,69-35-,70-36-,71-37-,72-38-
InChIKey WCIWTDZUHGMIRU-AWGSMRKZSA-N
Molecular Weight 1347.709 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(OCCCC)C)C)C)c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4C(OCCCC)C)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C
SPLASH splash10-01ot-0009003000-afe7e9e5019a29aec3c3
Source of Spectrum B-44-411-0
Wiley ID 1418802