| SpectraBase Compound ID | B7rM8liV2Gx |
|---|---|
| InChI | InChI=1S/C8H14N2/c9-5-8-10-6-3-1-2-4-7-10/h1-4,6-8H2 |
| InChIKey | OHKGIEVCPHMZKY-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C8H14N2 |
| Exact Mass | 138.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GToh11XD1LB |
|---|---|
| Name | Hexahydro-1H-azepine-1-acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.115698459 u |
| Formula | C8H14N2 |
| InChI | InChI=1S/C8H14N2/c9-5-8-10-6-3-1-2-4-7-10/h1-4,6-8H2 |
| InChIKey | OHKGIEVCPHMZKY-UHFFFAOYSA-N |
| Molecular Weight | 138.214 g/mol |
| SMILES | C1CN(CCCC1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964136 |