| SpectraBase Compound ID | HPXRT3kQ3FN |
|---|---|
| InChI | InChI=1S/C17H32ClNO4/c1-5-6-7-8-9-11-22-16(20)15(13-14(2)3)19(4)17(21)23-12-10-18/h14-15H,5-13H2,1-4H3 |
| InChIKey | WMHCPFKZVRNMDB-UHFFFAOYSA-N |
| Mol Weight | 349.9 g/mol |
| Molecular Formula | C17H32ClNO4 |
| Exact Mass | 349.201986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62ZDZwBYYbe |
|---|---|
| Name | L-Leucine, N-(2-chloroethoxycarbonyl)-N-methyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.201986210 u |
| Formula | C17H32ClNO4 |
| InChI | InChI=1S/C17H32ClNO4/c1-5-6-7-8-9-11-22-16(20)15(13-14(2)3)19(4)17(21)23-12-10-18/h14-15H,5-13H2,1-4H3 |
| InChIKey | WMHCPFKZVRNMDB-UHFFFAOYSA-N |
| Molecular Weight | 349.899 g/mol |
| SMILES | CCCCCCCOC(C(N(C(OCCCl)=O)C)CC(C)C)=O |