| SpectraBase Compound ID | SjYscaZbW6 |
|---|---|
| InChI | InChI=1S/C12H22ClNO4/c1-9(2)5-4-7-17-11(15)10(3)14-12(16)18-8-6-13/h9-10H,4-8H2,1-3H3,(H,14,16) |
| InChIKey | QFEBCZHSXLMTQZ-UHFFFAOYSA-N |
| Mol Weight | 279.76 g/mol |
| Molecular Formula | C12H22ClNO4 |
| Exact Mass | 279.123736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5j8EvV1vqtj |
|---|---|
| Name | L-Alanine, N-(2-chloroethoxycarbonyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.123735888 u |
| Formula | C12H22ClNO4 |
| InChI | InChI=1S/C12H22ClNO4/c1-9(2)5-4-7-17-11(15)10(3)14-12(16)18-8-6-13/h9-10H,4-8H2,1-3H3,(H,14,16) |
| InChIKey | QFEBCZHSXLMTQZ-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(C(NC(OCCCl)=O)C)=O |