| SpectraBase Compound ID | Gqj2QL24pY2 |
|---|---|
| InChI | InChI=1S/C10H20N2O/c11-8-4-3-6-9-5-1-2-7-10(13)12-9/h9H,1-8,11H2,(H,12,13) |
| InChIKey | FIOISRVPTKYKCL-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C10H20N2O |
| Exact Mass | 184.157563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EaSXe7ZVGM4 |
|---|---|
| Name | 7-(4-Aminobutyl)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 | 184.157563271 u |
| Formula | C10H20N2O |
| InChI | InChI=1S/C10H20N2O/c11-8-4-3-6-9-5-1-2-7-10(13)12-9/h9H,1-8,11H2,(H,12,13) |
| InChIKey | FIOISRVPTKYKCL-UHFFFAOYSA-N |
| Molecular Weight | 184.283 g/mol |
| SMILES | C1(NC(CCCC1)CCCCN)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940479 |