| SpectraBase Compound ID | Dh3KxpTzZgW |
|---|---|
| InChI | InChI=1S/C17H32ClNO4/c1-4-6-7-8-9-10-12-22-16(20)15(14(3)5-2)19-17(21)23-13-11-18/h14-15H,4-13H2,1-3H3,(H,19,21) |
| InChIKey | UUDALDNLUGQEPC-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 | DnLbTdbGMjG |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, octyl 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/c1-4-6-7-8-9-10-12-22-16(20)15(14(3)5-2)19-17(21)23-13-11-18/h14-15H,4-13H2,1-3H3,(H,19,21) |
| InChIKey | UUDALDNLUGQEPC-UHFFFAOYSA-N |
| Molecular Weight | 349.899 g/mol |
| SMILES | C(NC(OCCCl)=O)(C(OCCCCCCCC)=O)C(C)CC |