| SpectraBase Compound ID | KvtfgLk9Bv7 |
|---|---|
| InChI | InChI=1S/C8H16N2O/c9-5-7-10-6-3-1-2-4-8(10)11/h1-7,9H2 |
| InChIKey | KLDLDHUPFARPDZ-UHFFFAOYSA-N |
| Mol Weight | 156.23 g/mol |
| Molecular Formula | C8H16N2O |
| Exact Mass | 156.126263 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2I46SeIFv1S |
|---|---|
| Name | 2H-Azepin-2-one, 1-(2-aminoethyl)hexahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.126263142 u |
| Formula | C8H16N2O |
| InChI | InChI=1S/C8H16N2O/c9-5-7-10-6-3-1-2-4-8(10)11/h1-7,9H2 |
| InChIKey | KLDLDHUPFARPDZ-UHFFFAOYSA-N |
| Molecular Weight | 156.229 g/mol |
| SMILES | C1(N(CCCCC1)CCN)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974505 |