| SpectraBase Spectrum ID |
JGqNd59XQIB |
| Name |
2-[4-[2-(Heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.267507643 u |
| Formula |
C27H36N2O4 |
| InChI |
InChI=1S/C27H36N2O4/c1-4-5-6-7-10-15-28-21-17-27(2,3)18-23(31)24(21)22(30)14-11-16-29-25(32)19-12-8-9-13-20(19)26(29)33/h8-9,12-13,28H,4-7,10-11,14-18H2,1-3H3 |
| InChIKey |
VTDBARGMHCZZRT-UHFFFAOYSA-N |
| Molecular Weight |
452.595 g/mol |
| SMILES |
CCCCCCCNC1=C(C(CCCN2C(C3=CC=CC=C3C2=O)=O)=O)C(CC(C)(C)C1)=O |
![2-[4-[2-(Heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione](/api/spectrum/JGqNd59XQIB/structure.png?h=300&w=458 "2-[4-[2-(Heptylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione")
