| SpectraBase Compound ID | 42ZuYi1fugu |
|---|---|
| InChI | InChI=1S/C15H20ClNO4/c1-2-9-20-14(18)13(17-15(19)21-10-8-16)11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,19) |
| InChIKey | HOZHFNIVCYZHJY-UHFFFAOYSA-N |
| Mol Weight | 313.78 g/mol |
| Molecular Formula | C15H20ClNO4 |
| Exact Mass | 313.108086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qt1jZU2W7r |
|---|---|
| Name | L-Phenylalanine, N-(2-chloroethoxycarbonyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.108085824 u |
| Formula | C15H20ClNO4 |
| InChI | InChI=1S/C15H20ClNO4/c1-2-9-20-14(18)13(17-15(19)21-10-8-16)11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,17,19) |
| InChIKey | HOZHFNIVCYZHJY-UHFFFAOYSA-N |
| Molecular Weight | 313.781 g/mol |
| SMILES | C1=CC=C(C=C1)CC(NC(OCCCl)=O)C(OCCC)=O |