| SpectraBase Spectrum ID |
I0qUa80ApoX |
| Name |
2,3,7,8,12,13,17,18-Octaethyl-5-phenylporphyrin |
| Alternate Name(s) |
4,5,9,10,14,15,19,20-octaethyl-2-phenyl-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 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H50N4 |
| InChI |
InChI=1S/C42H50N4/c1-9-26-28(11-3)36-23-38-30(13-5)32(15-7)41(45-38)40(25-20-18-17-19-21-25)42-33(16-8)31(14-6)39(46-42)24-37-29(12-4)27(10-2)35(44-37)22-34(26)43-36/h17-24,43,46H,9-16H2,1-8H3/b34-22-,35-22-,36-23-,37-24-,38-23-,39-24-,41-40-,42-40- |
| InChIKey |
RBWJSRCJXXQUNP-HHLSSGOLSA-N |
| Molecular Weight |
610.890 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2-c2ccccc2)c(c4CC)CC)c(c3CC)CC)c(c1CC)CC)CC)CC |
| SPLASH |
splash10-03di-0000009000-0dfe27bc7d7e3088812c |
| Source of Spectrum |
QE-6-2732-3 |
| Wiley ID |
844880 |
