| SpectraBase Compound ID | 60KCqcVFMVm |
|---|---|
| InChI | InChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3 |
| InChIKey | FBHPVOLRIXZZMD-UHFFFAOYSA-N |
| Mol Weight | 213.66 g/mol |
| Molecular Formula | C10H12ClNO2 |
| Exact Mass | 213.055656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zpxVHRuymD |
|---|---|
| Name | Phenylalanine, 4-chloro-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.055656328 u |
| Formula | C10H12ClNO2 |
| InChI | InChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3 |
| InChIKey | FBHPVOLRIXZZMD-UHFFFAOYSA-N |
| Molecular Weight | 213.664 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)CC(N)C(OC)=O |