| SpectraBase Compound ID | 6O4OGOzyMz0 |
|---|---|
| InChI | InChI=1S/C12H17N/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2 |
| InChIKey | QFRVVKIFIHGQCH-UHFFFAOYSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Eu8OfXsrban |
|---|---|
| Name | 2-Phenylazepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.136099551 u |
| Formula | C12H17N |
| InChI | InChI=1S/C12H17N/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2 |
| InChIKey | QFRVVKIFIHGQCH-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C1(NCCCCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965055 |