| SpectraBase Compound ID | 42u6QPdEqrv |
|---|---|
| InChI | InChI=1S/C74H98N8/c1-17-41-45(21-5)63-37-67-49(25-9)53(29-13)71(79-67)57(72-54(30-14)50(26-10)68(80-72)38-64-46(22-6)42(18-2)60(76-64)35-59(41)75-63)33-34-58-73-55(31-15)51(27-11)69(81-73)39-65-47(23-7)43(19-3)61(77-65)36-62-44(20-4)48(24-8)66(78-62)40-70-52(28-12)56(32-16)74(58)82-70/h35-40,49,51,53,55,75,77,80,82H,17-34H2,1-16H3/b59-35-,60-35-,61-36-,62-36-,63-37-,64-38-,65-39-,66-40-,67-37-,68-38-,69-39-,70-40-,71-57-,72-57-,73-58-,74-58- |
| InChIKey | AEDPCSGUHXKWHR-AFEBAAMMSA-N |
| Mol Weight | 1099.7 g/mol |
| Molecular Formula | C74H98N8 |
| Exact Mass | 1098.791445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1L8kBMcWQZ3 |
|---|---|
| Name | 1,2-di(2,3,7,8,12,13,17,18-Octaethyl-7,8-dihydro-21H,23H-porphinyl-10)ethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1098.791445188 u |
| Formula | C74H98N8 |
| InChI | InChI=1S/C74H98N8/c1-17-41-45(21-5)63-37-67-49(25-9)53(29-13)71(79-67)57(72-54(30-14)50(26-10)68(80-72)38-64-46(22-6)42(18-2)60(76-64)35-59(41)75-63)33-34-58-73-55(31-15)51(27-11)69(81-73)39-65-47(23-7)43(19-3)61(77-65)36-62-44(20-4)48(24-8)66(78-62)40-70-52(28-12)56(32-16)74(58)82-70/h35-40,49,51,53,55,75,77,80,82H,17-34H2,1-16H3/b59-35-,60-35-,61-36-,62-36-,63-37-,64-38-,65-39-,66-40-,67-37-,68-38-,69-39-,70-40-,71-57-,72-57-,73-58-,74-58- |
| InChIKey | AEDPCSGUHXKWHR-AFEBAAMMSA-N |
| Molecular Weight | 1099.654 g/mol |
| SMILES | C=12NC(=CC3=NC(=CC4=C(C(=C(C(=C5N=C(C1)C(C5CC)CC)CCC1=C5NC(=CC6=NC(=CC7=C(C(=C(C=C8N=C1C(C8CC)CC)N7)CC)CC)C(=C6CC)CC)C(CC)=C5CC)N4)CC)CC)C(=C3CC)CC)C(=C2CC)CC |