| SpectraBase Compound ID | EM45CtKI7rq |
|---|---|
| InChI | InChI=1S/C16H27NO4/c1-7-10-21-16(19)17(6)14(13(4)5)15(18)20-11-8-9-12(2)3/h1,12-14H,8-11H2,2-6H3 |
| InChIKey | ZFIBSRCNNKXMEG-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 | 5rPCXjNsbH |
|---|---|
| Name | Valine, N-methyl-N-propargyloxycarbonyl-, isohexyl 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/c1-7-10-21-16(19)17(6)14(13(4)5)15(18)20-11-8-9-12(2)3/h1,12-14H,8-11H2,2-6H3 |
| InChIKey | ZFIBSRCNNKXMEG-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | C#CCOC(N(C(C(C)C)C(OCCCC(C)C)=O)C)=O |