| SpectraBase Compound ID | Bwck93myuzi |
|---|---|
| InChI | InChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-12-15-13(16)10-7-8-11-14/h2-12H2,1H3,(H,15,16) |
| InChIKey | RDGNMEAMKZMHMK-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 | Hn8OX1BcpYk |
|---|---|
| Name | Valeramide, 5-chloro-N-octyl- |
| 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/c1-2-3-4-5-6-9-12-15-13(16)10-7-8-11-14/h2-12H2,1H3,(H,15,16) |
| InChIKey | RDGNMEAMKZMHMK-UHFFFAOYSA-N |
| Molecular Weight | 247.810 g/mol |
| SMILES | C(NCCCCCCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926036 |