| SpectraBase Compound ID | AYcwY4NZgN0 |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-12(2,3)11(14)13-10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | SPAXLNXWCWXFRP-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 | CxQWnHl0kEX |
|---|---|
| Name | Cycloheptylamine, N-trimethylacetyl- |
| 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/c1-12(2,3)11(14)13-10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | SPAXLNXWCWXFRP-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C1(CCCCCC1)NC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931501 |