| SpectraBase Compound ID | JvFfAWiOEC8 |
|---|---|
| InChI | InChI=1S/C11H12ClNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | HLORMWAKCPDIPU-UHFFFAOYSA-N |
| Mol Weight | 241.67 g/mol |
| Molecular Formula | C11H12ClNO3 |
| Exact Mass | 241.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GKI4PwrIYO |
|---|---|
| Name | N-Acetyl-4-chlorotyrosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.050570947 u |
| Formula | C11H12ClNO3 |
| InChI | InChI=1S/C11H12ClNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | HLORMWAKCPDIPU-UHFFFAOYSA-N |
| Molecular Weight | 241.674 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)CC(C(O)=O)NC(C)=O |