| SpectraBase Spectrum ID |
InxI0mqbHnU |
| Name |
2-(5-Chlorononan-4-yl)isoindoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.133906650 u |
| Formula |
C17H22ClNO2 |
| InChI |
InChI=1S/C17H22ClNO2/c1-3-5-11-14(18)15(8-4-2)19-16(20)12-9-6-7-10-13(12)17(19)21/h6-7,9-10,14-15H,3-5,8,11H2,1-2H3 |
| InChIKey |
WEGWZMSDOTUKFQ-UHFFFAOYSA-N |
| SMILES |
C1=CC=C2C(=C1)C(=O)N(C(C(Cl)CCCC)CCC)C2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91136 |
