| SpectraBase Compound ID | EEwKv8lZLNj |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,6,10H2,1H3 |
| InChIKey | COXIADDOLPVBGM-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GAC7S3q1rjx |
|---|---|
| Name | 2-(Aminomethyl)phenyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,6,10H2,1H3 |
| InChIKey | COXIADDOLPVBGM-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C1=CC=C(C(=C1)OC(C)=O)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869217 |