| SpectraBase Compound ID | LsXDB45bqZl |
|---|---|
| InChI | InChI=1S/C11H20ClNO4/c1-2-3-4-8-16-10(14)5-7-13-11(15)17-9-6-12/h2-9H2,1H3,(H,13,15) |
| InChIKey | XXMVOGGMDGSDOS-UHFFFAOYSA-N |
| Mol Weight | 265.74 g/mol |
| Molecular Formula | C11H20ClNO4 |
| Exact Mass | 265.108086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gtYR3Nt267 |
|---|---|
| Name | .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.108085824 u |
| Formula | C11H20ClNO4 |
| InChI | InChI=1S/C11H20ClNO4/c1-2-3-4-8-16-10(14)5-7-13-11(15)17-9-6-12/h2-9H2,1H3,(H,13,15) |
| InChIKey | XXMVOGGMDGSDOS-UHFFFAOYSA-N |
| Molecular Weight | 265.737 g/mol |
| SMILES | CCCCCOC(CCNC(OCCCl)=O)=O |