| SpectraBase Spectrum ID |
GwSr3f8KWrP |
| Name |
(4E)-2-(5-Methyl-2-methylene-4-butylnon-4-enyl)isoindoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.235479240 u |
| Formula |
C23H31NO2 |
| InChI |
InChI=1S/C23H31NO2/c1-5-7-11-18(4)19(12-8-6-2)15-17(3)16-24-22(25)20-13-9-10-14-21(20)23(24)26/h9-10,13-14H,3,5-8,11-12,15-16H2,1-2,4H3/b19-18+ |
| InChIKey |
IAYAVDXSACFFMR-VHEBQXMUSA-N |
| Molecular Weight |
353.506 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CC(C\C(=C\(CCCC)C)CCCC)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95911 |
