| SpectraBase Compound ID | 1Uz1SN0n9rI |
|---|---|
| InChI | InChI=1S/C13H13N/c1-11-6-5-9-13(10-14-11)12-7-3-2-4-8-12/h2-5,7-10H,6H2,1H3 |
| InChIKey | PDMAUZVUWPXHCD-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C13H13N |
| Exact Mass | 183.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 907Ul7T0pOt |
|---|---|
| Name | 2-Methyl-6-phenyl-3H-azepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.104799423 u |
| Formula | C13H13N |
| InChI | InChI=1S/C13H13N/c1-11-6-5-9-13(10-14-11)12-7-3-2-4-8-12/h2-5,7-10H,6H2,1H3 |
| InChIKey | PDMAUZVUWPXHCD-UHFFFAOYSA-N |
| Molecular Weight | 183.254 g/mol |
| SMILES | C=1N=C(CC=CC1C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912405 |