| SpectraBase Spectrum ID |
ICyUMgescnQ |
| Name |
(4E)-2-(4-Isobutyl-5-methyl-2-methylene-non-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/c1-6-7-10-18(5)19(13-16(2)3)14-17(4)15-24-22(25)20-11-8-9-12-21(20)23(24)26/h8-9,11-12,16H,4,6-7,10,13-15H2,1-3,5H3/b19-18+ |
| InChIKey |
SQDVWWYSEHFEDA-VHEBQXMUSA-N |
| Molecular Weight |
353.506 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CC(C\C(=C\(CCCC)C)CC(C)C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802689 |
