SpectraBase Spectrum ID |
CQMMiECoc6e |
Name |
Carbamic acid, N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.977711664 u |
Formula |
C11H10Cl3NO2 |
InChI |
InChI=1S/C11H10Cl3NO2/c1-2-17-11(16)15-9(10(13)14)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H,15,16) |
InChIKey |
MKPUJEQPRLSXIT-UHFFFAOYSA-N |
Molecular Weight |
294.565 g/mol |
SMILES |
C(=C(Cl)Cl)(NC(=O)OCC)C1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932574 |