| SpectraBase Compound ID | DBk4WiJiKT9 |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3 |
| InChIKey | JWCPZKNBPMSYND-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Fsau2dL8Aj6 |
|---|---|
| Name | p-Aminobenzoic acid, isopropyl 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/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3 |
| InChIKey | JWCPZKNBPMSYND-UHFFFAOYSA-N |
| SMILES | NC=1C=CC(=CC1)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.961796 |