| SpectraBase Compound ID | 7HJrPwPoMI5 |
|---|---|
| InChI | InChI=1S/C14H19N/c1-13-7-5-6-10-15(11-13)12-14-8-3-2-4-9-14/h2-4,8-9H,1,5-7,10-12H2 |
| InChIKey | SWAFBDWTKMROSC-UHFFFAOYSA-N |
| Mol Weight | 201.31 g/mol |
| Molecular Formula | C14H19N |
| Exact Mass | 201.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 28iP1xU4Q3k |
|---|---|
| Name | 1-Benzyl-3-methylene-azepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.151749616 u |
| Formula | C14H19N |
| InChI | InChI=1S/C14H19N/c1-13-7-5-6-10-15(11-13)12-14-8-3-2-4-9-14/h2-4,8-9H,1,5-7,10-12H2 |
| InChIKey | SWAFBDWTKMROSC-UHFFFAOYSA-N |
| Molecular Weight | 201.313 g/mol |
| SMILES | C1N(CCCCC1=C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842981 |