| SpectraBase Spectrum ID |
88HrjG7UsAe |
| Name |
Phenylsulphonato[2,3,7,8,12,13,17,18-octaethylporphyrinato]indium |
| Alternate Name(s) |
4,5,9,10,14,15,19,20-octaethyl-21,23,24,25-tetraaza-22-indahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-22-yl benzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H49InN4O3S |
| InChI |
InChI=1S/C36H44N4.C6H6O3S.In/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;7-10(8,9)6-4-2-1-3-5-6;/h17-20H,9-16H2,1-8H3;1-5H,(H,7,8,9);/q-2;;+3/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;; |
| InChIKey |
AAILPEFCJNJHEZ-YAJYDHHFSA-M |
| Molecular Weight |
804.757 g/mol |
| SMILES |
c12[n]3[In]([n]4c(cc5c(c(c(c2)n5)CC)CC)c(c(c4cc2nc(cc3c(CC)c1CC)c(CC)c2CC)CC)CC)OS(=O)(=O)c1ccccc1 |
| SPLASH |
splash10-0002-0000009010-76895196f7786dfb4f0d |
| Source of Spectrum |
KA-1980-2084-2 |
| Wiley ID |
1417212 |
![Phenylsulphonato[2,3,7,8,12,13,17,18-octaethylporphyrinato]indium](/api/spectrum/88HrjG7UsAe/structure.png?h=300&w=458 "Phenylsulphonato[2,3,7,8,12,13,17,18-octaethylporphyrinato]indium")
