| SpectraBase Spectrum ID |
68fuuEYOp0O |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-17-(fluoromethyl)-3,8,13-trimethyl-, dimethyl ester |
| CAS Registry Number |
121211-64-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H37FN4O4 |
| InChI |
InChI=1S/C36H37FN4O4/c1-8-22-19(3)27-14-30-23(9-2)20(4)28(39-30)16-34-26(18-37)25(11-13-36(43)45-7)33(41-34)17-32-24(10-12-35(42)44-6)21(5)29(40-32)15-31(22)38-27/h8-9,14-17,39-40H,1-2,10-13,18H2,3-7H3/b27-14-,28-16-,29-15-,30-14-,31-15-,32-17-,33-17-,34-16- |
| InChIKey |
KCFCERDYYSXBPD-BWDVSKEWSA-N |
| Molecular Weight |
608.714 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)CF)c(c3C)CCC(=O)OC)c(c1C)C=C)C=C)C |
| SPLASH |
splash10-0ap0-0000094000-bbb07f2d233494dd06c3 |
| Source of Spectrum |
J-54-3281-6 |
| Synonyms |
8-(fiuoromethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethyl-2,4-divinylporphyrin
Methyl 3-[19-(fluoromethyl)-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-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate |
| Wiley ID |
1410760 |
