| SpectraBase Compound ID | CWk67kELqBM |
|---|---|
| InChI | InChI=1S/C13H16ClNO3/c1-8(2)11(13(17)18-3)15-12(16)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3,(H,15,16) |
| InChIKey | FUBQWOIKCWKZGE-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C13H16ClNO3 |
| Exact Mass | 269.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDbqgcIX4cC |
|---|---|
| Name | L-Valine, N-(2-chlorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.081871076 u |
| Formula | C13H16ClNO3 |
| InChI | InChI=1S/C13H16ClNO3/c1-8(2)11(13(17)18-3)15-12(16)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3,(H,15,16) |
| InChIKey | FUBQWOIKCWKZGE-UHFFFAOYSA-N |
| SMILES | CC(C)C(C(OC)=O)NC(=O)C1=C(C=CC=C1)Cl |