| SpectraBase Compound ID | CroLYw1v3g7 |
|---|---|
| InChI | InChI=1S/C16H22ClNO4/c1-2-3-10-21-15(19)14(18-16(20)22-11-9-17)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,20) |
| InChIKey | BJIAQOUNEGNPEI-UHFFFAOYSA-N |
| Mol Weight | 327.81 g/mol |
| Molecular Formula | C16H22ClNO4 |
| Exact Mass | 327.123736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dAKiWFlf2P |
|---|---|
| Name | L-Phenylalanine, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.123735888 u |
| Formula | C16H22ClNO4 |
| InChI | InChI=1S/C16H22ClNO4/c1-2-3-10-21-15(19)14(18-16(20)22-11-9-17)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,20) |
| InChIKey | BJIAQOUNEGNPEI-UHFFFAOYSA-N |
| Molecular Weight | 327.808 g/mol |
| SMILES | C1=CC=C(C=C1)CC(NC(OCCCl)=O)C(OCCCC)=O |