| SpectraBase Spectrum ID |
EA2AzULpZqS |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-(4-hexenyl)-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.110278725 u |
| Formula |
C14H15NO2 |
| InChI |
InChI=1S/C14H15NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h2-3,5-6,8-9H,4,7,10H2,1H3/b3-2- |
| InChIKey |
RLVKCCOKPAWVNJ-IHWYPQMZSA-N |
| Molecular Weight |
229.279 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CCC\C=C/C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968566 |
