| SpectraBase Compound ID | 54oFc3NdIbw |
|---|---|
| InChI | InChI=1S/C16H27NO4/c1-5-8-9-10-12-20-15(18)14(13(4)7-3)17-16(19)21-11-6-2/h2,13-14H,5,7-12H2,1,3-4H3,(H,17,19) |
| InChIKey | JDZBJFFESFTFKM-UHFFFAOYSA-N |
| Mol Weight | 297.4 g/mol |
| Molecular Formula | C16H27NO4 |
| Exact Mass | 297.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CFl1kZMG4L |
|---|---|
| Name | L-Isoleucine, N-propargyloxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.194008349 u |
| Formula | C16H27NO4 |
| InChI | InChI=1S/C16H27NO4/c1-5-8-9-10-12-20-15(18)14(13(4)7-3)17-16(19)21-11-6-2/h2,13-14H,5,7-12H2,1,3-4H3,(H,17,19) |
| InChIKey | JDZBJFFESFTFKM-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | CCCCCCOC(C(NC(OCC#C)=O)C(C)CC)=O |