| SpectraBase Spectrum ID |
FRdAuTvYchy |
| Name |
N'-(1'-Hexylheptyl)-N-[2''-methyl-1'',3''-dioxolan-4''-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
672.319937139 u |
| Formula |
C42H44N2O6 |
| InChI |
InChI=1S/C42H44N2O6/c1-4-6-8-10-12-25(13-11-9-7-5-2)44-41(47)33-20-16-29-27-14-18-31-37-32(40(46)43(39(31)45)22-26-23-49-24(3)50-26)19-15-28(35(27)37)30-17-21-34(42(44)48)38(33)36(29)30/h14-21,24-26H,4-13,22-23H2,1-3H3 |
| InChIKey |
MSAIMVAHJPRFOA-UHFFFAOYSA-N |
| 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)CC1OC(C)OC1)=O |
![N'-(1'-Hexylheptyl)-N-[2"-methyl-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)](/api/spectrum/FRdAuTvYchy/structure.png?h=300&w=458 "N'-(1'-Hexylheptyl)-N-[2\"-methyl-1\",3\"-dioxolan-4\"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)")
