![Dimethyl 3,3'-[8"-(1'"-benzoyloxybut-3'"-en-1'"-yl)-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate](/api/spectrum/kk1zrH8lB/structure.png?h=300&w=458 "Dimethyl 3,3'-[8\"-(1'\"-benzoyloxybut-3'\"-en-1'\"-yl)-2\",7\",12\",18\"-tetramethyl-2\",3\"-dihydro-21H.23H-porphyrin-13\",17\"-diyl]-dipropionate")
| SpectraBase Compound ID | JGvu5Nxmr9u |
|---|---|
| InChI | InChI=1S/C43H44N4O6/c1-8-12-39(53-43(50)28-13-10-9-11-14-28)42-27(5)33-20-29-19-24(2)32(44-29)21-34-25(3)30(15-17-40(48)51-6)36(45-34)23-37-31(16-18-41(49)52-7)26(4)35(46-37)22-38(42)47-33/h8-11,13-14,19-23,39,44,46H,1,12,15-18H2,2-7H3/b29-20-,32-21-,33-20-,34-21-,35-22-,36-23-,37-23-,38-22- |
| InChIKey | CKGDPUZWOOWCAR-KUUMUIBTSA-N |
| Mol Weight | 712.8 g/mol |
| Molecular Formula | C43H44N4O6 |
| Exact Mass | 712.326085 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | kk1zrH8lB |
|---|---|
| Name | Dimethyl 3,3'-[8"-(1'"-benzoyloxybut-3'"-en-1'"-yl)-2",7",12",18"-tetramethyl-2",3"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H44N4O6 |
| InChI | InChI=1S/C43H44N4O6/c1-8-12-39(53-43(50)28-13-10-9-11-14-28)42-27(5)33-20-29-19-24(2)32(44-29)21-34-25(3)30(15-17-40(48)51-6)36(45-34)23-37-31(16-18-41(49)52-7)26(4)35(46-37)22-38(42)47-33/h8-11,13-14,19-23,39,44,46H,1,12,15-18H2,2-7H3/b29-20-,32-21-,33-20-,34-21-,35-22-,36-23-,37-23-,38-22- |
| InChIKey | CKGDPUZWOOWCAR-KUUMUIBTSA-N |
| Molecular Weight | 712.847 g/mol |
| SMILES | [nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C(OC(=O)c2ccccc2)CC=C)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C |
| SPLASH | splash10-0006-0000090100-700b16889bad43d361db |
| Source of Spectrum | U-1995-1035-8 |
| Wiley ID | 767013 |