| SpectraBase Compound ID | 12eq3eUESEF |
|---|---|
| InChI | InChI=1S/C8H6ClNO2/c9-7(11)8(12)10-6-4-2-1-3-5-6/h1-5H,(H,10,12) |
| InChIKey | COYSDLRGCXLWQB-UHFFFAOYSA-N |
| Mol Weight | 183.59 g/mol |
| Molecular Formula | C8H6ClNO2 |
| Exact Mass | 183.008706 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8dxDLIGxyzz |
|---|---|
| Name | Acetyl chloride, oxo(phenylamino)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.008706135 u |
| Formula | C8H6ClNO2 |
| InChI | InChI=1S/C8H6ClNO2/c9-7(11)8(12)10-6-4-2-1-3-5-6/h1-5H,(H,10,12) |
| InChIKey | COYSDLRGCXLWQB-UHFFFAOYSA-N |
| Molecular Weight | 183.594 g/mol |
| SMILES | C1=CC(NC(=O)C(Cl)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844334 |