| SpectraBase Compound ID | Bt5TTFCnahZ |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-10(2)12(14)13-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14) |
| InChIKey | XJXDBLYVPNCEJH-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 | GroxyCi09Yj |
|---|---|
| Name | Cyclooctylamine, N-(2-methylpropionyl)- |
| 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/c1-10(2)12(14)13-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14) |
| InChIKey | XJXDBLYVPNCEJH-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C1(NC(C(C)C)=O)CCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8692 |