| SpectraBase Spectrum ID |
HaElNelYmG8 |
| Name |
Nickel, [2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-olato(2-)-N21,N22,N23,N24]-, (SP-4-2)- |
| CAS Registry Number |
52668-44-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H44N4NiO |
| InChI |
InChI=1S/C36H44N4O.Ni/c1-9-20-22(11-3)30-18-32-24(13-5)26(15-7)34(39-32)36(41)35-27(16-8)25(14-6)33(40-35)19-31-23(12-4)21(10-2)29(38-31)17-28(20)37-30;/h17-19H,9-16H2,1-8H3,(H-2,37,38,39,40,41);/q-2;+2/b28-17-,29-17-,30-18-,31-19-,32-18-,33-19-,36-34+,36-35+; |
| InChIKey |
QHDZTGKMUNGPJY-VEQCGSAJSA-N |
| Molecular Weight |
607.468 g/mol |
| SMILES |
Oc1c2nc(cc3[n]4[Ni][n]5c1c(CC)c(c5cc1nc(cc4c(CC)c3CC)c(c1CC)CC)CC)c(c2CC)CC |
| SPLASH |
splash10-0a4i-0000019000-ab1ae4ef03e64db87788 |
| Source of Spectrum |
F-43-4574-10 |
| Synonyms |
(5-hydroxy-2,3,7,8,12,13,17,18-octaethylporphyrineto)nickel
21H,23H-porphin-5-ol, 2,3,7,8,12,13,17,18-octaethyl-, nickel complex
4,5,9,10,14,15,19,20-octaethyl-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-2-ol |
| Wiley ID |
1410626 |
![Nickel, [2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-olato(2-)-N21,N22,N23,N24]-, (SP-4-2)-](/api/spectrum/HaElNelYmG8/structure.png?h=300&w=458 "Nickel, [2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-olato(2-)-N21,N22,N23,N24]-, (SP-4-2)-")
