| SpectraBase Spectrum ID |
7QCTgM3j65d |
| Name |
1-[2-(4-Methyl-3-nitro-1-octylamino)phenyl]cyclohexene-4,5-dicarboxylic acid N-phenylimide |
| Alternate Name(s) |
5-{2-[(4-methyl-3-nitrooctyl)amino]phenyl}-2-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H35N3O4 |
| InChI |
InChI=1S/C29H35N3O4/c1-3-4-10-20(2)27(32(35)36)17-18-30-26-14-9-8-13-23(26)21-15-16-24-25(19-21)29(34)31(28(24)33)22-11-6-5-7-12-22/h5-9,11-15,20,24-25,27,30H,3-4,10,16-19H2,1-2H3 |
| InChIKey |
UMJJDGIUIVYWOR-UHFFFAOYSA-N |
| Molecular Weight |
489.616 g/mol |
| SMILES |
N(c1c(C=2CC3C(N(C(C3CC2)=O)c2ccccc2)=O)cccc1)CCC(N(=O)=O)C(CCCC)C |
| SPLASH |
splash10-000f-0005900000-cb0f9c403e5c0f4ac3e9 |
| Source of Spectrum |
F-49-10025-16 |
| Wiley ID |
788575 |
![1-[2-(4-Methyl-3-nitro-1-octylamino)phenyl]cyclohexene-4,5-dicarboxylic acid N-phenylimide](/api/spectrum/7QCTgM3j65d/structure.png?h=300&w=458 "1-[2-(4-Methyl-3-nitro-1-octylamino)phenyl]cyclohexene-4,5-dicarboxylic acid N-phenylimide")
