| SpectraBase Compound ID | LVMAtGhEgb3 |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3 |
| InChIKey | HXCVYSRFFKEHEA-UHFFFAOYSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6BkanimL19W |
|---|---|
| Name | 1-Methylhexahydroazepin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.099714042 u |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-8-5-2-3-7(9)4-6-8/h2-6H2,1H3 |
| InChIKey | HXCVYSRFFKEHEA-UHFFFAOYSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C1N(CCC(CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982895 |