| SpectraBase Compound ID | COO3LIupd4P |
|---|---|
| InChI | InChI=1S/C10H20ClNO/c1-3-4-5-6-9(2)12-10(13)7-8-11/h9H,3-8H2,1-2H3,(H,12,13) |
| InChIKey | YJJJJRQXCOULDO-UHFFFAOYSA-N |
| Mol Weight | 205.73 g/mol |
| Molecular Formula | C10H20ClNO |
| Exact Mass | 205.123342 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JdK1CcJHqF5 |
|---|---|
| Name | Propionamide, 3-chloro-N-hept-2-yl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.123341967 u |
| Formula | C10H20ClNO |
| InChI | InChI=1S/C10H20ClNO/c1-3-4-5-6-9(2)12-10(13)7-8-11/h9H,3-8H2,1-2H3,(H,12,13) |
| InChIKey | YJJJJRQXCOULDO-UHFFFAOYSA-N |
| Molecular Weight | 205.729 g/mol |
| SMILES | C(CCCl)(NC(CCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98928 |