| SpectraBase Compound ID | 42WkVlXG07p |
|---|---|
| InChI | InChI=1S/C6H9ClO2/c1-3-4-9-6(8)5(2)7/h3,5H,1,4H2,2H3 |
| InChIKey | FDCTVCOKDZZPRP-UHFFFAOYSA-N |
| Mol Weight | 148.59 g/mol |
| Molecular Formula | C6H9ClO2 |
| Exact Mass | 148.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HQTHNU4Y01J |
|---|---|
| Name | Propanoic acid, 2-chloro-, 2-propenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.029107228 u |
| Formula | C6H9ClO2 |
| InChI | InChI=1S/C6H9ClO2/c1-3-4-9-6(8)5(2)7/h3,5H,1,4H2,2H3 |
| InChIKey | FDCTVCOKDZZPRP-UHFFFAOYSA-N |
| SMILES | CC(C(OCC=C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97362 |