| SpectraBase Spectrum ID |
F0UiEhd7VmI |
| Name |
N-(2'.3'-Dihydroxypropyl)-N'-(1''-hexylheptyl)-perylene-2,3 : 9,10-bis(dicarboxamide) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
646.304287074 u |
| Formula |
C40H42N2O6 |
| InChI |
InChI=1S/C40H42N2O6/c1-3-5-7-9-11-23(12-10-8-6-4-2)42-39(47)31-19-15-27-25-13-17-29-35-30(38(46)41(37(29)45)21-24(44)22-43)18-14-26(33(25)35)28-16-20-32(40(42)48)36(31)34(27)28/h13-20,23-24,43-44H,3-12,21-22H2,1-2H3 |
| InChIKey |
JUHUKGCEOZAYDI-UHFFFAOYSA-N |
| Molecular Weight |
646.784 g/mol |
| SMILES |
C1(N(C(C2=CC=C3C4=CC=C5C(N(C(C=6C=CC(C=7C=CC1=C2C37)=C4C56)=O)C(CCCCCC)CCCCCC)=O)=O)CC(O)CO)=O |
