| SpectraBase Compound ID | D2AjzSTnfh7 |
|---|---|
| InChI | InChI=1S/C15H28ClNO4/c1-4-5-6-7-8-11-20-14(18)13(2)17(3)15(19)21-12-9-10-16/h13H,4-12H2,1-3H3 |
| InChIKey | SSBVBVPJGZVGMH-UHFFFAOYSA-N |
| Mol Weight | 321.85 g/mol |
| Molecular Formula | C15H28ClNO4 |
| Exact Mass | 321.170686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwhPQXcF5UJ |
|---|---|
| Name | dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.170686082 u |
| Formula | C15H28ClNO4 |
| InChI | InChI=1S/C15H28ClNO4/c1-4-5-6-7-8-11-20-14(18)13(2)17(3)15(19)21-12-9-10-16/h13H,4-12H2,1-3H3 |
| InChIKey | SSBVBVPJGZVGMH-UHFFFAOYSA-N |
| Molecular Weight | 321.845 g/mol |
| SMILES | CC(N(C)C(=O)OCCCCl)C(=O)OCCCCCCC |