| SpectraBase Spectrum ID |
8e2CxHg3LkZ |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8,12-diethyl-20-(3-methoxy-3-oxo-1-propenyl)-3,7,13,17-tetramethyl-, dimethyl ester |
| CAS Registry Number |
112452-57-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H46N4O6 |
| InChI |
InChI=1S/C40H46N4O6/c1-10-25-21(3)30-18-32-23(5)27(12-15-36(45)48-7)39(43-32)29(14-17-38(47)50-9)40-28(13-16-37(46)49-8)24(6)33(44-40)19-31-22(4)26(11-2)35(42-31)20-34(25)41-30/h14,17-20,41,44H,10-13,15-16H2,1-9H3/b17-14+,30-18-,31-19-,32-18-,33-19-,34-20-,35-20-,39-29-,40-29- |
| InChIKey |
GFYCQRRTUYEEGF-JWAOPSECSA-N |
| Molecular Weight |
678.830 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2\C=C\C(=O)OC)c(c4C)CCC(=O)OC)c(c3CC)C)c(c1C)CC)C)CCC(=O)OC |
| SPLASH |
splash10-004l-0000059000-08751866078bbec23d68 |
| Source of Spectrum |
KC-1987-1235-18 |
| Synonyms |
2,3-Diethyl-6,7-bis(2-methoxycarbonylethyl)-.gamma.-(2-methoxycarbonylvinyl)-1,4,5,8-tetramethylporphyrin
methyl (2E)-3-[10,14-diethyl-4,20-bis(3-methoxy-3-oxopropyl)-5,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]-2-propenoate |
| Wiley ID |
1414279 |
