| SpectraBase Spectrum ID |
JZKdQqRkAGI |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 8-(2-chloroethyl)-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-, dimethyl ester |
| Alternate Name(s) |
2-(2-Chloroethyl)-4-ethyl-6,7-bis(2-methoxycarbonylethyl)-.gamma.-methoxycarbonylmethyl-1,3,5,8-tetramethylporphyrin
methyl 3-[10-(2-chloroethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,9,14,19-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-4-yl]propanoate |
| CAS Registry Number |
107287-43-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H45ClN4O6 |
| InChI |
InChI=1S/C39H45ClN4O6/c1-9-24-20(2)30-18-34-25(14-15-40)21(3)29(42-34)17-31-22(4)26(10-12-35(45)48-6)38(43-31)28(16-37(47)50-8)39-27(11-13-36(46)49-7)23(5)32(44-39)19-33(24)41-30/h17-19,41,43H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-19-,33-19-,34-18-,38-28-,39-28- |
| InChIKey |
IPEKUCICODXAMV-RZIAWZSXSA-N |
| Molecular Weight |
701.264 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2CC(=O)OC)c(c4C)CCC(=O)OC)c(c3C)CC)c(c1C)CCCl)C)CCC(=O)OC |
| SPLASH |
splash10-0udi-0000002900-c3705681956901269260 |
| Source of Spectrum |
KC-1987-1235-29 |
| Wiley ID |
1415044 |
