| SpectraBase Spectrum ID |
CDjpl5TAUV1 |
| Name |
5-Butyl-2,3,7,8,12,13,17,18-octaethylporphyrin |
| Alternate Name(s) |
2-Butyl-4,5,9,10,14,15,19,20-octaethyl-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 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54N4 |
| InChI |
InChI=1S/C40H54N4/c1-10-19-20-32-39-30(17-8)28(15-6)37(43-39)22-35-26(13-4)24(11-2)33(41-35)21-34-25(12-3)27(14-5)36(42-34)23-38-29(16-7)31(18-9)40(32)44-38/h21-23,41,44H,10-20H2,1-9H3/b33-21-,34-21-,35-22-,36-23-,37-22-,38-23-,39-32-,40-32- |
| InChIKey |
NVAUWIDEZFBHNQ-MRDZRMAJSA-N |
| Molecular Weight |
590.900 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(c(c4nc(c2)c(c4CC)CC)CCCC)c(c3CC)CC)c(c1CC)CC)CC)CC |
| SPLASH |
splash10-0006-0000090000-0d0bc9a4fd5b011a2a12 |
| Source of Spectrum |
QE-6-2731-3 |
| Wiley ID |
844884 |
