| SpectraBase Spectrum ID |
6JXLInmUYOj |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8-(2-chloroethyl)-3,7,12,13,17-pentamethyl-, dimethyl ester |
| CAS Registry Number |
87944-95-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H39ClN4O4 |
| InChI |
InChI=1S/C35H39ClN4O4/c1-18-19(2)27-16-31-25(12-13-36)22(5)30(38-31)15-29-21(4)24(9-11-35(42)44-7)33(40-29)17-32-23(8-10-34(41)43-6)20(3)28(39-32)14-26(18)37-27/h14-17,37,40H,8-13H2,1-7H3/b26-14-,27-16-,28-14-,29-15-,30-15-,31-16-,32-17-,33-17- |
| InChIKey |
WUJGXDCHNNOCCZ-NBXKQAPJSA-N |
| Molecular Weight |
615.174 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1CCCl)C)C)C |
| SPLASH |
splash10-03xr-0000009000-a86c5a748fcd50690609 |
| Source of Spectrum |
KC-1983-2334-0 |
| Synonyms |
2-(2-Chloroethyl)-6,7-bis(2-methoxycarbonylethyl)-1,3,4,5,8-pentamethylporphyrin
methyl 3-[10-(2-chloroethyl)-20-(3-methoxy-3-oxopropyl)-5,9,14,15,19-pentamethyl-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-4-yl]propanoate |
| Wiley ID |
1411209 |
