| SpectraBase Compound ID | FEoeYFAW6n8 |
|---|---|
| InChI | InChI=1S/C13H26ClNO/c1-3-5-8-12-15(11-4-2)13(16)9-6-7-10-14/h3-12H2,1-2H3 |
| InChIKey | BDSSSCUTQJYVPB-UHFFFAOYSA-N |
| Mol Weight | 247.81 g/mol |
| Molecular Formula | C13H26ClNO |
| Exact Mass | 247.170292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96I0hEUPsyd |
|---|---|
| Name | Valeramide, 5-chloro-N-propyl-N-pentyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.170292160 u |
| Formula | C13H26ClNO |
| InChI | InChI=1S/C13H26ClNO/c1-3-5-8-12-15(11-4-2)13(16)9-6-7-10-14/h3-12H2,1-2H3 |
| InChIKey | BDSSSCUTQJYVPB-UHFFFAOYSA-N |
| Molecular Weight | 247.810 g/mol |
| SMILES | C(N(CCC)CCCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914789 |