| SpectraBase Spectrum ID |
ECPawHZ55s4 |
| Name |
1-Benzyl-3,3-dichloro-4-[1-CHLORO1-methylethyl]-pyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.029747238 u |
| Formula |
C14H16Cl3NO |
| InChI |
InChI=1S/C14H16Cl3NO/c1-13(2,15)11-9-18(12(19)14(11,16)17)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey |
DWGUKLWBHPUSLG-UHFFFAOYSA-N |
| Molecular Weight |
320.647 g/mol |
| SMILES |
C1(C(N(CC=2C=CC=CC2)CC1C(Cl)(C)C)=O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883567 |
