| SpectraBase Spectrum ID |
1v7q6Ph1x3Z |
| Name |
2H-Benz[E]1,3-oxazin-4(3H)-one, 6-chloro-2-trichloromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.907439203 u |
| Formula |
C9H5Cl4NO2 |
| InChI |
InChI=1S/C9H5Cl4NO2/c10-4-1-2-6-5(3-4)7(15)14-8(16-6)9(11,12)13/h1-3,8H,(H,14,15) |
| InChIKey |
JHUBTHCSMMERON-UHFFFAOYSA-N |
| Molecular Weight |
300.956 g/mol |
| SMILES |
C1=CC=2OC(NC(C2C=C1Cl)=O)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937661 |
![2H-Benz[e]1,3-oxazin-4(3H)-one, 6-chloro-2-trichloromethyl-](/api/spectrum/1v7q6Ph1x3Z/structure.png?h=300&w=458 "2H-Benz[e]1,3-oxazin-4(3H)-one, 6-chloro-2-trichloromethyl-")
