| SpectraBase Compound ID | 7bb7WEyo1ut |
|---|---|
| InChI | InChI=1S/C9H5ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | BZPHJDQWFRMGER-UHFFFAOYSA-N |
| Mol Weight | 164.59 g/mol |
| Molecular Formula | C9H5ClO |
| Exact Mass | 164.002892 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LZyI2Nf7qPd |
|---|---|
| Name | Propanoyl chloride, phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.002892480 u |
| Formula | C9H5ClO |
| InChI | InChI=1S/C9H5ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | BZPHJDQWFRMGER-UHFFFAOYSA-N |
| Molecular Weight | 164.591 g/mol |
| SMILES | C1=CC(C#CC(Cl)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941272 |