| SpectraBase Compound ID | EaWrjWpr1wd |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3 |
| InChIKey | WCTQEHGXBKFLKG-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8LUsVxZEHI5 |
|---|---|
| Name | 4-(Aminomethyl)benzoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3 |
| InChIKey | WCTQEHGXBKFLKG-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C(N)C=1C=CC(=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929019 |