SpectraBase Spectrum ID |
7ptelNLiH2J |
Name |
2,3,7,8,12,13,17,18-Octapropyl-21H,23H-porphine |
CAS Registry Number |
73405-54-6 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C44H62N4 |
InChI |
InChI=1S/C44H62N4/c1-9-17-29-30(18-10-2)38-26-40-33(21-13-5)34(22-14-6)42(47-40)28-44-36(24-16-8)35(23-15-7)43(48-44)27-41-32(20-12-4)31(19-11-3)39(46-41)25-37(29)45-38/h25-28,45,48H,9-24H2,1-8H3/b37-25-,38-26-,39-25-,40-26-,41-27-,42-28-,43-27-,44-28- |
InChIKey |
RUEFREWYLZTIPK-WSXKDMBMSA-N |
Molecular Weight |
647.008 g/mol |
SMILES |
[nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CCC)CCC)[nH]3)CCC)CCC)c(c1CCC)CCC)CCC)CCC |
SPLASH |
splash10-0002-0000009000-b41a75cd86b78ffda02b |
Source of Spectrum |
NP-16-1782-0 |
Wiley ID |
1113249 |