| SpectraBase Spectrum ID |
JOHGnW2IYCX |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 3,8,12,17-tetramethyl-, dimethyl ester |
| CAS Registry Number |
111036-45-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H34N4O4 |
| InChI |
InChI=1S/C32H34N4O4/c1-17-11-21-13-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)14-22-12-18(2)26(34-22)15-25(17)33-21/h11-16,33,36H,7-10H2,1-6H3/b21-13-,22-14-,25-15-,26-15-,27-13-,28-14-,29-16-,30-16- |
| InChIKey |
VUIFAHZHKQQZLT-GDGPSPHHSA-N |
| Molecular Weight |
538.648 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCC(=O)OC)cc3C)c(c1)C)C)CCC(=O)OC |
| SPLASH |
splash10-000i-0000190000-eed51393ef24fa75212e |
| Source of Spectrum |
KC-1987-274-3 |
| Synonyms |
Deuteroporphyrin-XIII dimethyl ester
methyl 3-[20-(3-methoxy-3-oxopropyl)-5,10,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoate |
| Wiley ID |
1404373 |
