| SpectraBase Compound ID | FyLHjkOsLwk |
|---|---|
| InChI | InChI=1S/C5H4ClNO3/c6-2-3-1-4(8)10-5(9)7-3/h1H,2H2,(H,7,9) |
| InChIKey | ITEJKQYPCWSCNH-UHFFFAOYSA-N |
| Mol Weight | 161.54 g/mol |
| Molecular Formula | C5H4ClNO3 |
| Exact Mass | 160.987971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | pmQAo8VSIx |
|---|---|
| Name | 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.987970690 u |
| Formula | C5H4ClNO3 |
| InChI | InChI=1S/C5H4ClNO3/c6-2-3-1-4(8)10-5(9)7-3/h1H,2H2,(H,7,9) |
| InChIKey | ITEJKQYPCWSCNH-UHFFFAOYSA-N |
| Molecular Weight | 161.544 g/mol |
| SMILES | C1(OC(NC(=C1)CCl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976873 |