| SpectraBase Compound ID | 6jxoyKAeWcc |
|---|---|
| InChI | InChI=1S/C18H34ClNO4/c1-4-6-7-8-9-10-11-13-23-17(21)16(15(3)5-2)20-18(22)24-14-12-19/h15-16H,4-14H2,1-3H3,(H,20,22) |
| InChIKey | JYAMZZAVIKZCOY-UHFFFAOYSA-N |
| Mol Weight | 363.9 g/mol |
| Molecular Formula | C18H34ClNO4 |
| Exact Mass | 363.217636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTCfR4012dA |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.217636275 u |
| Formula | C18H34ClNO4 |
| InChI | InChI=1S/C18H34ClNO4/c1-4-6-7-8-9-10-11-13-23-17(21)16(15(3)5-2)20-18(22)24-14-12-19/h15-16H,4-14H2,1-3H3,(H,20,22) |
| InChIKey | JYAMZZAVIKZCOY-UHFFFAOYSA-N |
| Molecular Weight | 363.926 g/mol |
| SMILES | CCCCCCCCCOC(C(NC(OCCCl)=O)C(C)CC)=O |