| SpectraBase Spectrum ID |
KpnniMr3pJd |
| Name |
N-(1-Hexylheptyl)perylene-3,4:9,10-tetracarboxylic-3,4-(1-butylimineimide)-9,10-imide |
| Alternate Name(s) |
2-(1-Hexyl-heptyl)-9-pent-(Z)-ylideneamino-anthra[2,1,9-def;6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H45N3O4 |
| InChI |
InChI=1S/C42H45N3O4/c1-4-7-10-12-15-26(16-13-11-8-5-2)44-39(46)31-21-17-27-29-19-23-33-38-34(42(49)45(41(33)48)43-25-14-9-6-3)24-20-30(36(29)38)28-18-22-32(40(44)47)37(31)35(27)28/h17-26H,4-16H2,1-3H3/b43-25- |
| InChIKey |
MLMNWIHZXYDVRF-WJPIIEFQSA-N |
| Molecular Weight |
655.839 g/mol |
| SMILES |
C1(N(C(c2c3c4c(ccc13)c1ccc3C(N(C(c5c3c1c(c4cc2)cc5)=O)\N=C/CCCC)=O)=O)C(CCCCCC)CCCCCC)=O |
| SPLASH |
splash10-0006-0009220000-652272617cf0736dc4cb |
| Source of Spectrum |
QE-4-2113-7 |
| Wiley ID |
843770 |
