| SpectraBase Spectrum ID |
9ES7hSmQKHI |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7-acetyl-3,8,13,17-tetramethyl-, dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
580.268570270 u |
| Formula |
C34H36N4O5 |
| InChI |
InChI=1S/C34H36N4O5/c1-17-12-22-13-26-20(4)34(21(5)39)31(38-26)15-28-19(3)24(9-11-33(41)43-7)30(37-28)16-29-23(8-10-32(40)42-6)18(2)27(36-29)14-25(17)35-22/h12-16,35,37H,8-11H2,1-7H3/b22-13-,25-14-,26-13-,27-14-,28-15-,29-16-,30-16-,31-15- |
| InChIKey |
YNASAYOHFATKJP-YJRSURCCSA-N |
| Molecular Weight |
580.685 g/mol |
| SMILES |
C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5CCC(=O)OC)C)C(=C4C)CCC(=O)OC)C(=C3)C)C(=C1C(=O)C)C |
