| SpectraBase Compound ID | JhWUSiuqe2a |
|---|---|
| InChI | InChI=1S/C14H26ClNO4/c1-2-3-4-5-6-7-11-19-13(17)8-10-16-14(18)20-12-9-15/h2-12H2,1H3,(H,16,18) |
| InChIKey | YQEGDXFTQGBISX-UHFFFAOYSA-N |
| Mol Weight | 307.82 g/mol |
| Molecular Formula | C14H26ClNO4 |
| Exact Mass | 307.155036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHBP7XT8vEI |
|---|---|
| Name | .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.155036017 u |
| Formula | C14H26ClNO4 |
| InChI | InChI=1S/C14H26ClNO4/c1-2-3-4-5-6-7-11-19-13(17)8-10-16-14(18)20-12-9-15/h2-12H2,1H3,(H,16,18) |
| InChIKey | YQEGDXFTQGBISX-UHFFFAOYSA-N |
| Molecular Weight | 307.818 g/mol |
| SMILES | CCCCCCCCOC(CCNC(OCCCl)=O)=O |