| SpectraBase Spectrum ID |
Cf4fMB43a8z |
| Name |
4-Chloro-N-(5-methoxy-1-methylene-3-oxoisoindolin-2-yl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.061469984 u |
| Formula |
C17H13ClN2O3 |
| InChI |
InChI=1S/C17H13ClN2O3/c1-10-14-8-7-13(23-2)9-15(14)17(22)20(10)19-16(21)11-3-5-12(18)6-4-11/h3-9H,1H2,2H3,(H,19,21) |
| InChIKey |
NDDFCBJOTKGZMU-UHFFFAOYSA-N |
| Molecular Weight |
328.755 g/mol |
| SMILES |
C(C=1C=CC(=CC1)Cl)(=O)NN1C(C=2C=CC(=CC2C1=O)OC)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800448 |
