| SpectraBase Spectrum ID |
5sfbMGNQOXs |
| Name |
21H,23H-Porphine-2-propanoic acid, 18-(difluoromethyl)-8,13-diethyl-3,7,12,17-tetramethyl-, methyl ester |
| Alternate Name(s) |
2,4-Diethyl-6-(difluoromethyl)-7-[2-(methoxycarbonyl)-ethyl]-1,3,5,8-tetramethylporphyrin
Methyl 3-[20-(difluoromethyl)-10,15-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate |
| CAS Registry Number |
121211-44-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H36F2N4O2 |
| InChI |
InChI=1S/C33H36F2N4O2/c1-8-20-16(3)23-12-24-18(5)22(10-11-31(40)41-7)29(38-24)15-30-32(33(34)35)19(6)26(39-30)14-28-21(9-2)17(4)25(37-28)13-27(20)36-23/h12-15,33,36,39H,8-11H2,1-7H3/b23-12-,24-12-,25-13-,26-14-,27-13-,28-14-,29-15-,30-15- |
| InChIKey |
YGRMOGKTXUACOZ-AMIKOFOFSA-N |
| Molecular Weight |
558.674 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4C)CC)[nH]3)CC)C)c(c1CCC(=O)OC)C)C(F)F)C |
| SPLASH |
splash10-0a4i-0000190000-4fcae37a113dc62190a2 |
| Source of Spectrum |
J-54-3277-22 |
| Wiley ID |
1406590 |
