| SpectraBase Compound ID | 18Gljh0KRrx |
|---|---|
| InChI | InChI=1S/C15H30ClNO/c1-3-5-6-7-10-14-17(13-4-2)15(18)11-8-9-12-16/h3-14H2,1-2H3 |
| InChIKey | MWYORRKXOMLKAZ-UHFFFAOYSA-N |
| Mol Weight | 275.86 g/mol |
| Molecular Formula | C15H30ClNO |
| Exact Mass | 275.201592 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3LdkMVJ2TBB |
|---|---|
| Name | Valeramide, 5-chloro-N-propyl-N-heptyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.201592289 u |
| Formula | C15H30ClNO |
| InChI | InChI=1S/C15H30ClNO/c1-3-5-6-7-10-14-17(13-4-2)15(18)11-8-9-12-16/h3-14H2,1-2H3 |
| InChIKey | MWYORRKXOMLKAZ-UHFFFAOYSA-N |
| SMILES | C(N(CCC)CCCCCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95771 |