| SpectraBase Spectrum ID |
FXiAVt69aoK |
| Name |
5-[4-(Acetylthio)butyl]-15-butyl-10,20-diphenylporphyrin |
| Alternate Name(s) |
S-{4-[12-butyl-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-undecaen-2-yl]butyl} ethanethioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H40N4OS |
| InChI |
InChI=1S/C42H40N4OS/c1-3-4-17-31-33-19-23-37(43-33)41(29-13-7-5-8-14-29)39-25-21-35(45-39)32(18-11-12-27-48-28(2)47)36-22-26-40(46-36)42(30-15-9-6-10-16-30)38-24-20-34(31)44-38/h5-10,13-16,19-26,43,46H,3-4,11-12,17-18,27H2,1-2H3/b33-31-,34-31-,35-32-,36-32-,41-37-,41-39-,42-38-,42-40- |
| InChIKey |
FRMNJVBUGNMMSJ-IJEINVLCSA-N |
| Molecular Weight |
648.869 g/mol |
| SMILES |
[nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2CCCC)cc4)-c2ccccc2)cc3)CCCCSC(=O)C)cc1)-c1ccccc1 |
| SPLASH |
splash10-0002-0000029000-e490d57d29c8dfcc3ef9 |
| Source of Spectrum |
K-2001-1038-30 |
| Wiley ID |
1578875 |
![5-[4-(Acetylthio)butyl]-15-butyl-10,20-diphenylporphyrin](/api/spectrum/FXiAVt69aoK/structure.png?h=300&w=458 "5-[4-(Acetylthio)butyl]-15-butyl-10,20-diphenylporphyrin")
