| SpectraBase Compound ID | GbdP2Kt85sg |
|---|---|
| InChI | InChI=1S/C11H14ClNO3/c1-15-10-4-3-7(5-8(10)12)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3 |
| InChIKey | QUBSTZJVDZUTFR-UHFFFAOYSA-N |
| Mol Weight | 243.69 g/mol |
| Molecular Formula | C11H14ClNO3 |
| Exact Mass | 243.066221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64QacnjY3zv |
|---|---|
| Name | 2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.066221012 u |
| Formula | C11H14ClNO3 |
| InChI | InChI=1S/C11H14ClNO3/c1-15-10-4-3-7(5-8(10)12)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3 |
| InChIKey | QUBSTZJVDZUTFR-UHFFFAOYSA-N |
| Molecular Weight | 243.690 g/mol |
| SMILES | C(C(CC1=CC(=C(C=C1)OC)Cl)N)(=O)OC |