| SpectraBase Compound ID | 2HSDLsF9h78 |
|---|---|
| InChI | InChI=1S/C9H18ClNO/c1-2-3-8-11-9(12)6-4-5-7-10/h2-8H2,1H3,(H,11,12) |
| InChIKey | QHSHGYGCGMLCST-UHFFFAOYSA-N |
| Mol Weight | 191.7 g/mol |
| Molecular Formula | C9H18ClNO |
| Exact Mass | 191.107692 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H4vNVKInPIg |
|---|---|
| Name | Valeramide, 5-chloro-N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.107691903 u |
| Formula | C9H18ClNO |
| InChI | InChI=1S/C9H18ClNO/c1-2-3-8-11-9(12)6-4-5-7-10/h2-8H2,1H3,(H,11,12) |
| InChIKey | QHSHGYGCGMLCST-UHFFFAOYSA-N |
| Molecular Weight | 191.702 g/mol |
| SMILES | C(NCCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975366 |