| SpectraBase Spectrum ID |
CTcpoeohP3e |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(2,2-difluoroethyl)-3,8,13,17-tetramethyl-, dimethyl ester |
| Alternate Name(s) |
2,4-bis(2,2-difluoroethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5,8-tetramethylporphyrin
Methyl 3-[10,15-bis(2,2-difluoroethyl)-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate |
| CAS Registry Number |
121211-50-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38F4N4O4 |
| InChI |
InChI=1S/C36H38F4N4O4/c1-17-21(7-9-35(45)47-5)29-16-30-22(8-10-36(46)48-6)18(2)27(42-30)14-31-24(12-34(39)40)20(4)28(44-31)15-32-23(11-33(37)38)19(3)26(43-32)13-25(17)41-29/h13-16,33-34,42-43H,7-12H2,1-6H3/b25-13-,26-13-,27-14-,28-15-,29-16-,30-16-,31-14-,32-15- |
| InChIKey |
DUKVRHVACQPFBJ-IUNJRDNESA-N |
| Molecular Weight |
666.718 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CC(F)F)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C)CC(F)F |
| SPLASH |
splash10-014l-0000039000-ad841038a7503af4aff8 |
| Source of Spectrum |
J-54-3279-35 |
| Wiley ID |
1413773 |
