| SpectraBase Compound ID | HdYLVTLuLBM |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-2-3-4-7-10-13-11-8-5-6-9-12(13)14/h2-11H2,1H3 |
| InChIKey | JDQRYRLJZGMNIB-UHFFFAOYSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F6IUv7Rl0QD |
|---|---|
| Name | N-Hexyl-.epsilon.-caprolactam |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-2-3-4-7-10-13-11-8-5-6-9-12(13)14/h2-11H2,1H3 |
| InChIKey | JDQRYRLJZGMNIB-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C1(CCCCCN1CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986935 |