| SpectraBase Spectrum ID |
4gMsbYV4Wfk |
| Name |
21H,23H-Porphine-2-propanoic acid, 8-ethenyl-13-ethyl-18-(fluorocarbonyl)-3,7,12,17-tetramethyl-, methyl ester |
| CAS Registry Number |
121211-53-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H33FN4O3 |
| InChI |
InChI=1S/C33H33FN4O3/c1-8-20-16(3)23-12-24-18(5)22(10-11-31(39)41-7)29(37-24)15-30-32(33(34)40)19(6)26(38-30)14-28-21(9-2)17(4)25(36-28)13-27(20)35-23/h8,12-15,36-37H,1,9-11H2,2-7H3/b23-12-,24-12-,25-13-,26-14-,27-13-,28-14-,29-15-,30-15- |
| InChIKey |
WAYUZWMVEFZQPJ-AMIKOFOFSA-N |
| Molecular Weight |
552.650 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4c(c(c(c2)n4)C)C(=O)F)c(c3C)CCC(=O)OC)c(c1C=C)C)C)CC |
| SPLASH |
splash10-0udi-0000090000-f4e8dad0cb629f992856 |
| Source of Spectrum |
J-54-3279-39 |
| Synonyms |
4-Ethyl-6-(fluorocarbonyl)-7-[2-(methoxycarbonyl)-ethyl]-1,3,5,8-tetramethyl-2-vinylporphyrin
Methyl 3-[15-ethyl-20-(fluorocarbonyl)-5,9,14,19-tetramethyl-10-vinyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoate |
| Wiley ID |
1405997 |
