SpectraBase Spectrum ID |
1ugxqGCsVuy |
Name |
Carbonic acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2,2,2-trichloroethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.933653951 u |
Formula |
C10H9Cl4NO3 |
InChI |
InChI=1S/C10H9Cl4NO3/c1-17-8-3-2-6(11)4-7(8)15-9(16)18-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16) |
InChIKey |
UYTVVJBYNLFSIZ-UHFFFAOYSA-N |
Molecular Weight |
332.998 g/mol |
SMILES |
COC1=CC=C(C=C1NC(OCC(Cl)(Cl)Cl)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93619 |