| SpectraBase Compound ID | JpkbSmDZg2p |
|---|---|
| InChI | InChI=1S/C15H20ClNO3/c1-4-20-15(19)13(9-10(2)3)17-14(18)11-7-5-6-8-12(11)16/h5-8,10,13H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | QVJWISKSWSOJPY-UHFFFAOYSA-N |
| Mol Weight | 297.78 g/mol |
| Molecular Formula | C15H20ClNO3 |
| Exact Mass | 297.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lEGtFDogMM |
|---|---|
| Name | L-Leucine, N-(2-chlorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.113171205 u |
| Formula | C15H20ClNO3 |
| InChI | InChI=1S/C15H20ClNO3/c1-4-20-15(19)13(9-10(2)3)17-14(18)11-7-5-6-8-12(11)16/h5-8,10,13H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | QVJWISKSWSOJPY-UHFFFAOYSA-N |
| Molecular Weight | 297.782 g/mol |
| SMILES | C1=CC(=C(C=C1)Cl)C(NC(CC(C)C)C(OCC)=O)=O |