![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/Ak1BD2YJNJ4/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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ak1BD2YJNJ4 |
|---|---|
| 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 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1294.646690991 u |
| 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 | C12=C(C(C)=C(N2)C=C2N=C(C=C3NC(=CC4=NC(=C1)C(=C4CCOC1=CC=CC=C1)C)C(=C3CCC(=O)OC)C)C(=C2C)CCC(=O)OC)C(OC(C=1C2=NC(C1C)=CC=1NC(C=C3C(C)=C(C(C=C4NC(=C2)C(=C4CCC(=O)OC)C)=N3)CCC(=O)OC)=C(C1CC)C)C)C |