| SpectraBase Spectrum ID |
FfrnY14wGt0 |
| Name |
N-(1'-Hexylheptyl)-N'-[p-(5-methoxycarbonyl-5-methyl-2-phenylisoxazolidin-3-yl)-benzyl]-perylene-3,4 : 9,10-tetracarboxylic-bisimide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
881.404001116 u |
| Formula |
C56H55N3O7 |
| InChI |
InChI=1S/C56H55N3O7/c1-5-7-9-12-16-36(17-13-10-8-6-2)58-53(62)44-30-26-40-38-24-28-42-49-43(29-25-39(47(38)49)41-27-31-45(54(58)63)50(44)48(40)41)52(61)57(51(42)60)33-34-20-22-35(23-21-34)46-32-56(3,55(64)65-4)66-59(46)37-18-14-11-15-19-37/h11,14-15,18-31,36,46H,5-10,12-13,16-17,32-33H2,1-4H3/t46-,56-/m0/s1 |
| InChIKey |
OAYSZJQVKDYFDJ-IXRBWZILSA-N |
| Molecular Weight |
882.070 g/mol |
| SMILES |
C1(N(C(C2=CC=C3C4=C2C1=CC=C4C1=CC=C2C(N(C(C=4C=CC3=C1C24)=O)C(CCCCCC)CCCCCC)=O)=O)CC=1C=CC([C@]2(N(O[C@@](C2)(C(=O)OC)C)C2=CC=CC=C2)[H])=CC1)=O |
![N-(1'-Hexylheptyl)-N'-[p-(5-methoxycarbonyl-5-methyl-2-phenylisoxazolidin-3-yl)-benzyl]-perylene-3,4 : 9,10-tetracarboxylic-bisimide](/api/spectrum/FfrnY14wGt0/structure.png?h=300&w=458 "N-(1'-Hexylheptyl)-N'-[p-(5-methoxycarbonyl-5-methyl-2-phenylisoxazolidin-3-yl)-benzyl]-perylene-3,4 : 9,10-tetracarboxylic-bisimide")
