| SpectraBase Compound ID | 6rWJVheF5bx |
|---|---|
| InChI | InChI=1S/C72H82N8O11/c1-33-45(17-21-65(83)87-13)57-31-59-47(19-23-67(85)89-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81)37(5)53(77-61)25-49(33)73-57)43(11)91-44(12)72-40(8)56-30-62-70(42(10)82)38(6)54(78-62)26-50-34(2)46(18-22-66(84)88-14)58(74-50)32-60-48(20-24-68(86)90-16)36(4)52(76-60)28-64(72)80-56/h25-32,41-44,73-74,79-82H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28- |
| InChIKey | RAHRMXHUQLUGNP-ZBBNYIMUSA-N |
| Mol Weight | 1235.5 g/mol |
| Molecular Formula | C72H82N8O11 |
| Exact Mass | 1234.610305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnvJKH98Jfo |
|---|---|
| Name | 21H,23H-Porphine-2,18-dipropanoic acid, (oxydiethylidene)bis[(1-hydroxyethyl)-3,17,?,?-tetramethyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1234.610305481 u |
| Formula | C72H82N8O11 |
| InChI | InChI=1S/C72H82N8O11/c1-33-45(17-21-65(83)87-13)57-31-59-47(19-23-67(85)89-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81)37(5)53(77-61)25-49(33)73-57)43(11)91-44(12)72-40(8)56-30-62-70(42(10)82)38(6)54(78-62)26-50-34(2)46(18-22-66(84)88-14)58(74-50)32-60-48(20-24-68(86)90-16)36(4)52(76-60)28-64(72)80-56/h25-32,41-44,73-74,79-82H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28- |
| InChIKey | RAHRMXHUQLUGNP-ZBBNYIMUSA-N |
| Molecular Weight | 1235.493 g/mol |
| SMILES | C=12N=C(C=C3NC(=CC4=NC(=CC=5NC(C1)=C(C5C(OC(C1=C5NC(=C1C)C=C1N=C(C=C6C(C)=C(C(=CC7=NC(=C5)C(=C7CCC(=O)OC)C)N6)CCC(=O)OC)C(=C1C(O)C)C)C)C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(=C2C(O)C)C |