| SpectraBase Spectrum ID |
zeLx21MEeR |
| Name |
1,1'-(Ethane-1,2-diyl)-bis-[5-(3,3,3-trichloro-2-oxo-propylidene)-pyrrolidin-2-one] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.908473135 u |
| Formula |
C16H14Cl6N2O4 |
| InChI |
InChI=1S/C16H14Cl6N2O4/c17-15(18,19)11(25)7-9-1-3-13(27)23(9)5-6-24-10(2-4-14(24)28)8-12(26)16(20,21)22/h7-8H,1-6H2/b9-7+,10-8+ |
| InChIKey |
GYIQUFHPFLANAQ-FIFLTTCUSA-N |
| Molecular Weight |
511.016 g/mol |
| SMILES |
C1(=O)CC\C(N1CCN1C(=O)CC\C1=C/C(=O)C(Cl)(Cl)Cl)=C/C(=O)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828951 |
![1,1'-(Ethane-1,2-diyl)-bis-[5-(3,3,3-trichloro-2-oxo-propylidene)-pyrrolidin-2-one]](/api/spectrum/zeLx21MEeR/structure.png?h=300&w=458 "1,1'-(Ethane-1,2-diyl)-bis-[5-(3,3,3-trichloro-2-oxo-propylidene)-pyrrolidin-2-one]")
