| SpectraBase Spectrum ID |
GO7Q75VYAKb |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8-acetyl-3,7,12,17-tetramethyl-, dimethyl ester |
| Alternate Name(s) |
2-Acetyldeuteroporphyrin IX dimethyl ester
Dimethyl ester of 2-acetyldeuteroporphyrin IX |
| CAS Registry Number |
13003-76-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H36N4O5 |
| InChI |
InChI=1S/C34H36N4O5/c1-17-12-22-13-26-18(2)23(8-10-32(40)42-6)29(36-26)16-30-24(9-11-33(41)43-7)19(3)27(37-30)15-28-20(4)34(21(5)39)31(38-28)14-25(17)35-22/h12-16,35,37H,8-11H2,1-7H3/b22-13-,25-14-,26-13-,27-15-,28-15-,29-16-,30-16-,31-14- |
| InChIKey |
VMTLFNGSASNRDO-YFDVIUBFSA-N |
| Molecular Weight |
580.685 g/mol |
| SMILES |
[nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C(=O)C)C)C |
| SPLASH |
splash10-001i-0000090000-6689c3497140cd54798b |
| Source of Spectrum |
C-105-6642-0 |
| Wiley ID |
1408513 |
