| SpectraBase Compound ID | 9vphfFGIKFZ |
|---|---|
| InChI | InChI=1S/C9H18N2O/c10-6-4-8-11-7-3-1-2-5-9(11)12/h1-8,10H2 |
| InChIKey | IZYZHQOYVLYGRW-UHFFFAOYSA-N |
| Mol Weight | 170.26 g/mol |
| Molecular Formula | C9H18N2O |
| Exact Mass | 170.141913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dk50TSkvA5R |
|---|---|
| Name | 1-(3-Aminopropyl)hexahydro-2H-azepin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.141913207 u |
| Formula | C9H18N2O |
| InChI | InChI=1S/C9H18N2O/c10-6-4-8-11-7-3-1-2-5-9(11)12/h1-8,10H2 |
| InChIKey | IZYZHQOYVLYGRW-UHFFFAOYSA-N |
| Molecular Weight | 170.256 g/mol |
| SMILES | C1N(C(CCCC1)=O)CCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979559 |