| SpectraBase Compound ID | FCFCLkwclZC |
|---|---|
| InChI | InChI=1S/C14H17Cl2NO4/c15-6-8-20-13(18)12(17-14(19)21-9-7-16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,19) |
| InChIKey | IHTHBSYRHIEDEJ-UHFFFAOYSA-N |
| Mol Weight | 334.2 g/mol |
| Molecular Formula | C14H17Cl2NO4 |
| Exact Mass | 333.053463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XoC3HWXcmF |
|---|---|
| Name | L-Phenylalanine, N-(2-chloroethoxycarbonyl)-, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.053463427 u |
| Formula | C14H17Cl2NO4 |
| InChI | InChI=1S/C14H17Cl2NO4/c15-6-8-20-13(18)12(17-14(19)21-9-7-16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,19) |
| InChIKey | IHTHBSYRHIEDEJ-UHFFFAOYSA-N |
| Molecular Weight | 334.199 g/mol |
| SMILES | C1=CC=C(C=C1)CC(NC(OCCCl)=O)C(OCCCl)=O |