| SpectraBase Compound ID | EtVww17HuM2 |
|---|---|
| InChI | InChI=1S/C16H22ClNO3/c1-3-4-5-8-11-21-16(20)12(2)18-15(19)13-9-6-7-10-14(13)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,19) |
| InChIKey | YVDQZPIEILVIER-UHFFFAOYSA-N |
| Mol Weight | 311.81 g/mol |
| Molecular Formula | C16H22ClNO3 |
| Exact Mass | 311.128821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHuBMaONCG1 |
|---|---|
| Name | L-Alanine, N-(2-chlorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.128821269 u |
| Formula | C16H22ClNO3 |
| InChI | InChI=1S/C16H22ClNO3/c1-3-4-5-8-11-21-16(20)12(2)18-15(19)13-9-6-7-10-14(13)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,19) |
| InChIKey | YVDQZPIEILVIER-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(NC(C(OCCCCCC)=O)C)=O)Cl |