| SpectraBase Compound ID | 4Q2ueuWgESi |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13) |
| InChIKey | ZWJLFLBVYIJQAZ-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sadtEVAKEt |
|---|---|
| Name | 4-Acetylaminophenylacetic acid, methyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13) |
| InChIKey | ZWJLFLBVYIJQAZ-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | C1=C(C=CC(=C1)NC(=O)C)CC(OC)=O |