| SpectraBase Spectrum ID |
8D4FBTXCvkM |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 3-(difluoromethyl)-8,13-diethenyl-7,12,17-trimethyl-, dimethyl ester |
| CAS Registry Number |
121211-63-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H36F2N4O4 |
| InChI |
InChI=1S/C36H36F2N4O4/c1-8-21-18(3)25-14-28-22(9-2)19(4)27(40-28)16-32-35(36(37)38)24(11-13-34(44)46-7)31(42-32)17-30-23(10-12-33(43)45-6)20(5)26(41-30)15-29(21)39-25/h8-9,14-17,36,39,42H,1-2,10-13H2,3-7H3/b25-14-,26-15-,27-16-,28-14-,29-15-,30-17-,31-17-,32-16- |
| InChIKey |
JFALGWWHPNONKS-WDKYUCIMSA-N |
| Molecular Weight |
626.705 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4C)CCC(=O)OC)[nH]3)C=C)C)c(c1C)C=C)C(F)F)CCC(=O)OC |
| SPLASH |
splash10-004i-0000019000-51c0b1e2127b47bb7a98 |
| Source of Spectrum |
J-54-3280-5 |
| Synonyms |
8-(difluoromethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethyl-2,4-divinylporphyrin
Methyl 3-[19-(difluoromethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15-trimethyl-9,14-divinyl-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 |
| Wiley ID |
1411890 |
