| SpectraBase Spectrum ID |
34npEnIsNZu |
| Name |
Benzoyl chloride, 2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.011598615 u |
| Formula |
C15H11Cl2NO3 |
| InChI |
InChI=1S/C15H11Cl2NO3/c16-12-6-5-8(7-11(12)13(17)19)18-14(20)9-3-1-2-4-10(9)15(18)21/h5-7H,1-4H2 |
| InChIKey |
UDYXEEWVTKWVSL-UHFFFAOYSA-N |
| Molecular Weight |
324.163 g/mol |
| SMILES |
C1(N(C(C=2CCCCC12)=O)C1=CC=C(C(=C1)C(Cl)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.7161 |
