| SpectraBase Spectrum ID |
GAat7SZzKCU |
| Name |
5-Hexyl-15-(4-iodobutyl)-10,20-diphenylporphyrin |
| Alternate Name(s) |
2-hexyl-12-(4-iodobutyl)-7,17-diphenyl-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 |
C42H41IN4 |
| InChI |
InChI=1S/C42H41IN4/c1-2-3-4-11-18-31-33-20-24-37(44-33)41(29-14-7-5-8-15-29)39-26-22-35(46-39)32(19-12-13-28-43)36-23-27-40(47-36)42(30-16-9-6-10-17-30)38-25-21-34(31)45-38/h5-10,14-17,20-27,44,47H,2-4,11-13,18-19,28H2,1H3/b33-31-,34-31-,35-32-,36-32-,41-37-,41-39-,42-38-,42-40- |
| InChIKey |
QOBLAIBPVDVFCY-IJEINVLCSA-N |
| Molecular Weight |
728.722 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCCI)cc4)-c2ccccc2)cc3)CCCCCC)cc1)-c1ccccc1 |
| SPLASH |
splash10-0fb9-0000004900-1920a0d5de5548321576 |
| Source of Spectrum |
O1-65-2446-11 |
| Wiley ID |
1593255 |
