| SpectraBase Compound ID | 1jLhf3TKoNe |
|---|---|
| InChI | InChI=1S/C13H24ClNO4/c1-2-3-4-5-6-10-18-12(16)7-9-15-13(17)19-11-8-14/h2-11H2,1H3,(H,15,17) |
| InChIKey | SJMCGLBSTJCZJN-UHFFFAOYSA-N |
| Mol Weight | 293.79 g/mol |
| Molecular Formula | C13H24ClNO4 |
| Exact Mass | 293.139386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 160Kf6UdnSZ |
|---|---|
| Name | .beta.-Alanine, N-(2-chloroethoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.139385953 u |
| Formula | C13H24ClNO4 |
| InChI | InChI=1S/C13H24ClNO4/c1-2-3-4-5-6-10-18-12(16)7-9-15-13(17)19-11-8-14/h2-11H2,1H3,(H,15,17) |
| InChIKey | SJMCGLBSTJCZJN-UHFFFAOYSA-N |
| Molecular Weight | 293.791 g/mol |
| SMILES | CCCCCCCOC(CCNC(OCCCl)=O)=O |