| SpectraBase Spectrum ID |
2Fu4JeFx3oK |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8,13-diethyl-7,8-dihydro-3,7,12,17-tetramethyl-, dimethyl ester, trans- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
596.336255909 u |
| Formula |
C36H44N4O4 |
| InChI |
InChI=1S/C36H44N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-19,23,38-39H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18- |
| InChIKey |
GWMPYAZOVWMMBM-MFBGAUBSSA-N |
| Molecular Weight |
596.772 g/mol |
| SMILES |
C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C(C4CC)C)C(=C3CC)C)C(=C1CCC(=O)OC)C |
