| SpectraBase Compound ID | 6uRZ6iWdW9m |
|---|---|
| InChI | InChI=1S/C14H26ClNO4/c1-4-6-7-9-19-13(17)12(11(3)5-2)16-14(18)20-10-8-15/h11-12H,4-10H2,1-3H3,(H,16,18) |
| InChIKey | ZFTBDCZQJBTSHS-UHFFFAOYSA-N |
| Mol Weight | 307.82 g/mol |
| Molecular Formula | C14H26ClNO4 |
| Exact Mass | 307.155036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQGbv1VCT7P |
|---|---|
| Name | L-Isoleucine, N-(2-chloroethoxycarbonyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.155036017 u |
| Formula | C14H26ClNO4 |
| InChI | InChI=1S/C14H26ClNO4/c1-4-6-7-9-19-13(17)12(11(3)5-2)16-14(18)20-10-8-15/h11-12H,4-10H2,1-3H3,(H,16,18) |
| InChIKey | ZFTBDCZQJBTSHS-UHFFFAOYSA-N |
| Molecular Weight | 307.818 g/mol |
| SMILES | C(NC(OCCCl)=O)(C(OCCCCC)=O)C(C)CC |