| SpectraBase Compound ID | DFal1Ee89kf |
|---|---|
| InChI | InChI=1S/C9H17NO/c1-2-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 |
| InChIKey | RFQUREKQYLNKCZ-UHFFFAOYSA-N |
| Mol Weight | 155.24 g/mol |
| Molecular Formula | C9H17NO |
| Exact Mass | 155.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KaCM7gNeRHk |
|---|---|
| Name | 1-Propionylazepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.131014170 u |
| Formula | C9H17NO |
| InChI | InChI=1S/C9H17NO/c1-2-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 |
| InChIKey | RFQUREKQYLNKCZ-UHFFFAOYSA-N |
| Molecular Weight | 155.241 g/mol |
| SMILES | C(N1CCCCCC1)(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953408 |