| SpectraBase Compound ID | 5e19GWkZA8o |
|---|---|
| InChI | InChI=1S/C16H30ClNO4/c1-4-6-7-8-9-11-21-15(19)14(13(3)5-2)18-16(20)22-12-10-17/h13-14H,4-12H2,1-3H3,(H,18,20) |
| InChIKey | GDYCOKQHFMARMG-UHFFFAOYSA-N |
| Mol Weight | 335.87 g/mol |
| Molecular Formula | C16H30ClNO4 |
| Exact Mass | 335.186336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BObu6qUdsZf |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.186336146 u |
| Formula | C16H30ClNO4 |
| InChI | InChI=1S/C16H30ClNO4/c1-4-6-7-8-9-11-21-15(19)14(13(3)5-2)18-16(20)22-12-10-17/h13-14H,4-12H2,1-3H3,(H,18,20) |
| InChIKey | GDYCOKQHFMARMG-UHFFFAOYSA-N |
| Molecular Weight | 335.872 g/mol |
| SMILES | C(NC(OCCCl)=O)(C(OCCCCCCC)=O)C(C)CC |