| SpectraBase Compound ID | 90o81t2dOJ8 |
|---|---|
| InChI | InChI=1S/C9H18ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h8H,3-7H2,1-2H3,(H,11,12) |
| InChIKey | KVQOKZTZOQQPQT-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 | 5kUQKiBQBpe |
|---|---|
| Name | Valeramide, 5-chloro-N-isobutyl- |
| 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/c1-8(2)7-11-9(12)5-3-4-6-10/h8H,3-7H2,1-2H3,(H,11,12) |
| InChIKey | KVQOKZTZOQQPQT-UHFFFAOYSA-N |
| Molecular Weight | 191.702 g/mol |
| SMILES | C(NCC(C)C)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962114 |