| SpectraBase Compound ID | 23FuH1r3nOl |
|---|---|
| InChI | InChI=1S/C7H14ClNO/c1-5(2)4-9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10) |
| InChIKey | DACYGWNELUVMHS-UHFFFAOYSA-N |
| Mol Weight | 163.65 g/mol |
| Molecular Formula | C7H14ClNO |
| Exact Mass | 163.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JzydwtXa9wT |
|---|---|
| Name | Propionamide, 2-chloro-N-isobutyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.076391774 u |
| Formula | C7H14ClNO |
| InChI | InChI=1S/C7H14ClNO/c1-5(2)4-9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10) |
| InChIKey | DACYGWNELUVMHS-UHFFFAOYSA-N |
| Molecular Weight | 163.648 g/mol |
| SMILES | CC(C(NCC(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93137 |