| SpectraBase Compound ID | DVB1pXGbWnd |
|---|---|
| InChI | InChI=1S/C12H21Cl2NO4/c1-9(2)8-10(11(16)18-6-4-13)15(3)12(17)19-7-5-14/h9-10H,4-8H2,1-3H3 |
| InChIKey | VRPOFSRLKUIAQZ-UHFFFAOYSA-N |
| Mol Weight | 314.21 g/mol |
| Molecular Formula | C12H21Cl2NO4 |
| Exact Mass | 313.084764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rMv3Q48wVH |
|---|---|
| Name | L-Leucine, N-(2-chloroethoxycarbonyl)-N-methyl-, 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.084763556 u |
| Formula | C12H21Cl2NO4 |
| InChI | InChI=1S/C12H21Cl2NO4/c1-9(2)8-10(11(16)18-6-4-13)15(3)12(17)19-7-5-14/h9-10H,4-8H2,1-3H3 |
| InChIKey | VRPOFSRLKUIAQZ-UHFFFAOYSA-N |
| Molecular Weight | 314.209 g/mol |
| SMILES | C(COC(=O)C(N(C(OCCCl)=O)C)CC(C)C)Cl |