| SpectraBase Compound ID | 5EocvvFoOJi |
|---|---|
| InChI | InChI=1S/C11H15NO/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,12,13) |
| InChIKey | OHWQEBAVEDXXDM-UHFFFAOYSA-N |
| Mol Weight | 177.25 g/mol |
| Molecular Formula | C11H15NO |
| Exact Mass | 177.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IaHOkBQO3lb |
|---|---|
| Name | Benzylamine but |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.115364106 u |
| Formula | C11H15NO |
| InChI | InChI=1S/C11H15NO/c1-2-6-11(13)12-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,12,13) |
| InChIKey | OHWQEBAVEDXXDM-UHFFFAOYSA-N |
| Molecular Weight | 177.247 g/mol |
| SMILES | C=1(CNC(CCC)=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904272 |