| SpectraBase Compound ID | AmQ7I2Zgyx8 |
|---|---|
| InChI | InChI=1S/C10H11NO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3 |
| InChIKey | ZFQCUVIOKJPYHM-UHFFFAOYSA-N |
| Mol Weight | 193.2 g/mol |
| Molecular Formula | C10H11NO3 |
| Exact Mass | 193.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Px00VWenuc |
|---|---|
| Name | Methyl 3-(2-aminophenyl)-3-oxopropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.073893215 u |
| Formula | C10H11NO3 |
| InChI | InChI=1S/C10H11NO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6,11H2,1H3 |
| InChIKey | ZFQCUVIOKJPYHM-UHFFFAOYSA-N |
| Molecular Weight | 193.202 g/mol |
| SMILES | C(CC(=O)OC)(C=1C(N)=CC=CC1)=O |