| SpectraBase Spectrum ID |
1mZL9Ynb29y |
| Name |
Dimethyl 2,7,12,18-tetramethyl-3,8-di(2,2-diacethyl-1-methylethyl)-21H,23H-porphine-13,17-dipropionate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
790.394164707 u |
| Formula |
C46H54N4O8 |
| InChI |
InChI=1S/C46H54N4O8/c1-21-31(13-15-41(55)57-11)37-20-38-32(14-16-42(56)58-12)22(2)34(48-38)18-39-44(26(6)46(29(9)53)30(10)54)24(4)36(50-39)19-40-43(25(5)45(27(7)51)28(8)52)23(3)35(49-40)17-33(21)47-37/h17-20,25-26,45-46,48-49H,13-16H2,1-12H3/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19- |
| InChIKey |
ILUJQHQQLGVBFS-QGQUFCMSSA-N |
| Molecular Weight |
790.958 g/mol |
| SMILES |
C1=2NC(=CC3=NC(=CC4=C(C(=C(C=C5N=C(C2)C(=C5C(C)C(C(C)=O)C(=O)C)C)N4)C)CCC(OC)=O)C(=C3C)CCC(=O)OC)C(=C1C(C(C(C)=O)C(C)=O)C)C |
