| SpectraBase Spectrum ID |
FfYkeuGGr7z |
| Name |
2-(2,4-Dichlorophenyl)-3-ethanoyl-1-(2-morpholin-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.080012528 u |
| Formula |
C18H20Cl2N2O4 |
| InChI |
InChI=1S/C18H20Cl2N2O4/c1-11(23)15-16(13-3-2-12(19)10-14(13)20)22(18(25)17(15)24)5-4-21-6-8-26-9-7-21/h2-3,10,16,24H,4-9H2,1H3 |
| InChIKey |
UMLQWBVJIJUAJF-UHFFFAOYSA-N |
| Molecular Weight |
399.274 g/mol |
| SMILES |
C1(=C(C(=O)N(C1C=1C(=CC(=CC1)Cl)Cl)CCN1CCOCC1)O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825115 |
