| SpectraBase Compound ID | 6KMe3dXOBi0 |
|---|---|
| InChI | InChI=1S/C13H17N/c14-13-10-6-5-9-12(13)11-7-3-1-2-4-8-11/h5-7,9-10H,1-4,8,14H2 |
| InChIKey | VEFQDWCMMBVARW-UHFFFAOYSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LTv67IfxN5f |
|---|---|
| Name | 2-(1-Cycloheptenyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.136099551 u |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c14-13-10-6-5-9-12(13)11-7-3-1-2-4-8-11/h5-7,9-10H,1-4,8,14H2 |
| InChIKey | VEFQDWCMMBVARW-UHFFFAOYSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C1(C=2C(N)=CC=CC2)=CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951477 |