| SpectraBase Compound ID | LSt3HsMkrNI |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3 |
| InChIKey | LLAMGYUWYUMHCH-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 | 7uJT7VV4WkS |
|---|---|
| Name | Methyl 4(methylamino)benzoate |
| 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/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3 |
| InChIKey | LLAMGYUWYUMHCH-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C1=CC(=CC=C1NC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923482 |