| SpectraBase Spectrum ID |
5JrKOmJDvKs |
| Name |
Pentacarboxylic-copro-porphyrin-1-permethylester |
| Alternate Name(s) |
methyl 5,10,15,20-tetrakis(3-methoxy-3-oxopropyl)-4,9,14,19-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-undecaene-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H48N4O10 |
| InChI |
InChI=1S/C42H48N4O10/c1-21-26(11-15-36(48)53-6)33-20-31-23(3)28(13-17-38(50)55-8)41(45-31)39(42(51)56-9)40-24(4)27(12-16-37(49)54-7)34(46-40)19-30-22(2)25(10-14-35(47)52-5)32(44-30)18-29(21)43-33/h18-20,43,46H,10-17H2,1-9H3/b29-18-,30-19-,31-20-,32-18-,33-20-,34-19-,40-39+,41-39+ |
| InChIKey |
AOOBQTLNHMSJAQ-RMPODJFPSA-N |
| Molecular Weight |
768.864 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2C(=O)OC)c(c4C)CCC(=O)OC)c(c3C)CCC(=O)OC)c(c1C)CCC(=O)OC)CCC(=O)OC)C |
| SPLASH |
splash10-014i-0000000900-93e0025f9d65b673f2c3 |
| Source of Spectrum |
KO-4-115-1 |
| Wiley ID |
1416681 |
