| SpectraBase Spectrum ID |
1Zbidtvd6dc |
| Name |
N-(1-Octylnonyl)-N'-(N''-ethoxycarbamidyl)perylene-3,4:9,10-bis(dicarboximide) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
715.362136304 u |
| Formula |
C44H49N3O6 |
| InChI |
InChI=1S/C44H49N3O6/c1-4-7-9-11-13-15-17-27(18-16-14-12-10-8-5-2)46-40(48)32-23-19-28-30-21-25-34-39-35(43(51)47(42(34)50)44(52)45-53-6-3)26-22-31(37(30)39)29-20-24-33(41(46)49)38(32)36(28)29/h19-27H,4-18H2,1-3H3,(H,45,52) |
| InChIKey |
ZAQAZRLTYJSUSW-UHFFFAOYSA-N |
| SMILES |
C1(N(C(C=2C=CC3=C4C2C1=CC=C4C1=CC=C2C(N(C(C=4C=CC3=C1C24)=O)C(CCCCCCCC)CCCCCCCC)=O)=O)C(=O)NOCC)=O |
