| SpectraBase Compound ID | LisNeyUtSif |
|---|---|
| InChI | InChI=1S/C17H32ClNO4/c1-2-3-4-5-6-7-8-9-10-14-22-16(20)11-13-19-17(21)23-15-12-18/h2-15H2,1H3,(H,19,21) |
| InChIKey | ARORGAKYDPWHJA-UHFFFAOYSA-N |
| Mol Weight | 349.9 g/mol |
| Molecular Formula | C17H32ClNO4 |
| Exact Mass | 349.201986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87HZdVZvZYu |
|---|---|
| Name | .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.201986210 u |
| Formula | C17H32ClNO4 |
| InChI | InChI=1S/C17H32ClNO4/c1-2-3-4-5-6-7-8-9-10-14-22-16(20)11-13-19-17(21)23-15-12-18/h2-15H2,1H3,(H,19,21) |
| InChIKey | ARORGAKYDPWHJA-UHFFFAOYSA-N |
| Molecular Weight | 349.899 g/mol |
| SMILES | CCCCCCCCCCCOC(CCNC(OCCCl)=O)=O |