| SpectraBase Compound ID | 6SOOCkTiWKD |
|---|---|
| InChI | InChI=1S/C13H19N/c1-11-6-8-12(9-7-11)13-5-3-2-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3 |
| InChIKey | COHNBVKUGIKOPE-UHFFFAOYSA-N |
| Mol Weight | 189.3 g/mol |
| Molecular Formula | C13H19N |
| Exact Mass | 189.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DnA5n1sU3WH |
|---|---|
| Name | 2-(4-Methylphenyl)azepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.151749616 u |
| Formula | C13H19N |
| InChI | InChI=1S/C13H19N/c1-11-6-8-12(9-7-11)13-5-3-2-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3 |
| InChIKey | COHNBVKUGIKOPE-UHFFFAOYSA-N |
| Molecular Weight | 189.302 g/mol |
| SMILES | C1(NCCCCC1)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965443 |