| SpectraBase Compound ID | 2CY2NeCTyVb |
|---|---|
| InChI | InChI=1S/C8H16ClNO/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | AZUPPPMDDSIBPP-UHFFFAOYSA-N |
| Mol Weight | 177.67 g/mol |
| Molecular Formula | C8H16ClNO |
| Exact Mass | 177.092042 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5akKmpGch9b |
|---|---|
| Name | Propionamide, 2-chloro-N-pentyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.092041838 u |
| Formula | C8H16ClNO |
| InChI | InChI=1S/C8H16ClNO/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6H2,1-2H3,(H,10,11) |
| InChIKey | AZUPPPMDDSIBPP-UHFFFAOYSA-N |
| Molecular Weight | 177.675 g/mol |
| SMILES | C(=O)(NCCCCC)C(C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959757 |