| SpectraBase Compound ID | LJbf8gj35pc |
|---|---|
| InChI | InChI=1S/C16H30ClNO/c1-3-5-6-7-8-11-15-18(14-4-2)16(19)12-9-10-13-17/h4H,2-3,5-15H2,1H3 |
| InChIKey | CQPGASPBKLDDPQ-UHFFFAOYSA-N |
| Mol Weight | 287.88 g/mol |
| Molecular Formula | C16H30ClNO |
| Exact Mass | 287.201592 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GdF8JJLi21R |
|---|---|
| Name | Valeramide, 5-chloro-N-allyl-N-octyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.201592289 u |
| Formula | C16H30ClNO |
| InChI | InChI=1S/C16H30ClNO/c1-3-5-6-7-8-11-15-18(14-4-2)16(19)12-9-10-13-17/h4H,2-3,5-15H2,1H3 |
| InChIKey | CQPGASPBKLDDPQ-UHFFFAOYSA-N |
| SMILES | C(N(CCCCCCCC)CC=C)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934776 |