| SpectraBase Compound ID | HV32EcEmolw |
|---|---|
| InChI | InChI=1S/C7H13ClO/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3 |
| InChIKey | PIXGBDYTPDEVNS-UHFFFAOYSA-N |
| Mol Weight | 148.63 g/mol |
| Molecular Formula | C7H13ClO |
| Exact Mass | 148.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LUy9RqMjL7T |
|---|---|
| Name | 2-Ethylpentanoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.065492738 u |
| Formula | C7H13ClO |
| InChI | InChI=1S/C7H13ClO/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3 |
| InChIKey | PIXGBDYTPDEVNS-UHFFFAOYSA-N |
| Molecular Weight | 148.633 g/mol |
| SMILES | C(C(CCC)CC)(=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969912 |