| SpectraBase Compound ID | C7qaUT3yzc6 |
|---|---|
| InChI | InChI=1S/C12H15N/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10H,2-4,13H2,1H3 |
| InChIKey | CSNXIDADBPPXAP-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C12H15N |
| Exact Mass | 173.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GTKgTuRXxig |
|---|---|
| Name | 2-(hex-1-yn-1-yl)Aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.120449487 u |
| Formula | C12H15N |
| InChI | InChI=1S/C12H15N/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10H,2-4,13H2,1H3 |
| InChIKey | CSNXIDADBPPXAP-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C=1(N)C(=CC=CC1)C#CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839674 |