| SpectraBase Compound ID | 9GRHRcA71J3 |
|---|---|
| InChI | InChI=1S/C14H18ClNO3/c1-3-4-9-19-14(18)10(2)16-13(17)11-7-5-6-8-12(11)15/h5-8,10H,3-4,9H2,1-2H3,(H,16,17) |
| InChIKey | AIJHHKQKRLVNEK-UHFFFAOYSA-N |
| Mol Weight | 283.75 g/mol |
| Molecular Formula | C14H18ClNO3 |
| Exact Mass | 283.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JL65Bo5m5i |
|---|---|
| Name | L-Alanine, N-(2-chlorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.097521141 u |
| Formula | C14H18ClNO3 |
| InChI | InChI=1S/C14H18ClNO3/c1-3-4-9-19-14(18)10(2)16-13(17)11-7-5-6-8-12(11)15/h5-8,10H,3-4,9H2,1-2H3,(H,16,17) |
| InChIKey | AIJHHKQKRLVNEK-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(NC(C(OCCCC)=O)C)=O)Cl |