| SpectraBase Spectrum ID |
8MaooaexynQ |
| Name |
Nickel(II) Uroporphyrin I permethylester |
| Alternate Name(s) |
Methyl 3-[5,10,15,20-tetrakis(2-methoxy-2-oxoethyl)-4,14,19-tris(3-methoxy-3-oxopropyl)-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-9-yl]propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H52N4NiO16 |
| InChI |
InChI=1S/C48H52N4O16.Ni/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37;/h21-24H,9-20H2,1-8H3;/q-2;+2/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23-; |
| InChIKey |
MKVUMHNPDIEPFD-YNHFAQIQSA-N |
| Molecular Weight |
999.649 g/mol |
| SMILES |
c12[n]3c(c(c2CC(=O)OC)CCC(=O)OC)cc2nc(cc4[n]([Ni]3)c(c(CCC(=O)OC)c4CC(=O)OC)cc3nc(c1)c(c3CC(=O)OC)CCC(=O)OC)c(c2CC(=O)OC)CCC(=O)OC |
| SPLASH |
splash10-0f6t-4000000019-80508497b60b76ffc73c |
| Source of Spectrum |
BS-4-19-0 |
| Wiley ID |
1418384 |
