| SpectraBase Spectrum ID |
9ndMdIYNiqT |
| Name |
(5,15-Dibutyl-10,20-diphenylporphyrinato)nickel (II) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H36N4Ni |
| InChI |
InChI=1S/C40H36N4.Ni/c1-3-5-17-29-31-19-23-35(41-31)39(27-13-9-7-10-14-27)37-25-21-33(43-37)30(18-6-4-2)34-22-26-38(44-34)40(28-15-11-8-12-16-28)36-24-20-32(29)42-36;/h7-16,19-26H,3-6,17-18H2,1-2H3;/q-2;+4/b31-29-,32-29-,33-30-,34-30-,39-35-,39-37-,40-36-,40-38-; |
| InChIKey |
PTPUCZGYMXDUMT-QUEJNXPWSA-N |
| Molecular Weight |
631.449 g/mol |
| SMILES |
c12[n]3[Ni+2][n]4c(c(c5nc(c2-c2ccccc2)cc5)CCCC)ccc4c(c2nc(c(c3cc1)CCCC)cc2)-c1ccccc1 |
| SPLASH |
splash10-001i-0001009000-51c5f434632fca6e2fe6 |
| Source of Spectrum |
F-56-589-7 |
| Wiley ID |
855697 |
