| SpectraBase Spectrum ID |
GcaWvMBNuIX |
| Name |
N-(4'-Chlorobenzyl)canthadin-imide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.097521141 u |
| Formula |
C17H18ClNO3 |
| InChI |
InChI=1S/C17H18ClNO3/c1-16-12-7-8-13(22-12)17(16,2)15(21)19(14(16)20)9-10-3-5-11(18)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12?,13?,16-,17+ |
| InChIKey |
FJDVTACVLFTIJM-QDIASNEPSA-N |
| Molecular Weight |
319.788 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)N(C2=O)CC=2C=CC(=CC2)Cl)(C2OC1CC2)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861618 |
