![1-[2-(Ethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Phenoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether](/api/spectrum/2EzgBTSiE5R/structure.png?h=300&w=458 "1-[2-(Ethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Phenoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether")
| SpectraBase Compound ID | An8TrsWfTg2 |
|---|---|
| InChI | InChI=1S/C78H86N8O10/c1-16-51-40(2)57-32-58-41(3)52(22-26-73(87)91-12)67(80-58)39-70-55(25-29-76(90)94-15)44(6)61(84-70)36-72-78(47(9)64(86-72)35-65(51)79-57)49(11)96-48(10)77-46(8)63-33-59-42(4)53(23-27-74(88)92-13)68(81-59)38-69-54(24-28-75(89)93-14)43(5)60(82-69)34-66-56(30-31-95-50-20-18-17-19-21-50)45(7)62(83-66)37-71(77)85-63/h17-21,32-39,48-49,79,82,84-85H,16,22-31H2,1-15H3/b57-32-,58-32-,59-33-,60-34-,61-36-,62-37-,63-33-,64-35-,65-35-,66-34-,67-39-,68-38-,69-38-,70-39-,71-37-,72-36- |
| InChIKey | IXLWFNVIPQJQRT-UWLNNUGCSA-N |
| Mol Weight | 1295.6 g/mol |
| Molecular Formula | C78H86N8O10 |
| Exact Mass | 1294.646691 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2EzgBTSiE5R |
|---|---|
| Name | 1-[2-(Ethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(1-Phenoxyethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether |
| Alternate Name(s) | compound39 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C78H86N8O10 |
| InChI | InChI=1S/C78H86N8O10/c1-16-51-40(2)57-32-58-41(3)52(22-26-73(87)91-12)67(80-58)39-70-55(25-29-76(90)94-15)44(6)61(84-70)36-72-78(47(9)64(86-72)35-65(51)79-57)49(11)96-48(10)77-46(8)63-33-59-42(4)53(23-27-74(88)92-13)68(81-59)38-69-54(24-28-75(89)93-14)43(5)60(82-69)34-66-56(30-31-95-50-20-18-17-19-21-50)45(7)62(83-66)37-71(77)85-63/h17-21,32-39,48-49,79,82,84-85H,16,22-31H2,1-15H3/b57-32-,58-32-,59-33-,60-34-,61-36-,62-37-,63-33-,64-35-,65-35-,66-34-,67-39-,68-38-,69-38-,70-39-,71-37-,72-36- |
| InChIKey | IXLWFNVIPQJQRT-UWLNNUGCSA-N |
| Molecular Weight | 1295.592 g/mol |
| SMILES | [nH]1c2c(C(OC(c3c(c4cc5c(c(c(cc6nc(cc7[nH]c(cc3n4)c(c7CCC(=O)OC)C)c(c6C)CCC(=O)OC)[nH]5)C)CC)C)C)C)c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CCOc2ccccc2)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C |
| SPLASH | splash10-0005-0090030000-8fbcd0dbb883fac323ca |
| Source of Spectrum | B-44-411-0 |
| Wiley ID | 1418782 |