| SpectraBase Spectrum ID |
LkkV7OloG4Y |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8-(2-chloroethyl)-3,7,12,17-tetramethyl-, dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
600.250333383 u |
| Formula |
C34H37ClN4O4 |
| InChI |
InChI=1S/C34H37ClN4O4/c1-18-13-22-14-27-19(2)23(7-9-33(40)42-5)31(37-27)17-32-24(8-10-34(41)43-6)20(3)28(39-32)16-29-21(4)25(11-12-35)30(38-29)15-26(18)36-22/h13-17,36,39H,7-12H2,1-6H3/b22-14-,26-15-,27-14-,28-16-,29-16-,30-15-,31-17-,32-17- |
| InChIKey |
UUYDIOZYGZPIMI-OAOVUZDNSA-N |
| Molecular Weight |
601.147 g/mol |
| SMILES |
C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)OC)C(=C4CCCl)C)C(=C3)C)C(=C1CCC(=O)OC)C |
