| SpectraBase Compound ID | CCGQR9Z7aaa |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3 |
| InChIKey | CFNDVXUTYPXOPG-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 | Gkc9568h3wG |
|---|---|
| Name | 4-Aminophenyl-acetic-acid-ethylester |
| 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)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3 |
| InChIKey | CFNDVXUTYPXOPG-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C(OC(=O)CC1=CC=C(C=C1)N)C |
| Spectrum/Structure Validation Score (Raman) | 0.752356 |