| SpectraBase Compound ID | 8iPXaMe1GdO |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-7-8-9-10-20-15(18)14(13(4)5)17(6)16(19)21-11-12(2)3/h12-14H,7-11H2,1-6H3 |
| InChIKey | QFWAKDZPZNYDFY-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fX8hC46RlC |
|---|---|
| Name | Valine, N-methyl-N-isobutoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-7-8-9-10-20-15(18)14(13(4)5)17(6)16(19)21-11-12(2)3/h12-14H,7-11H2,1-6H3 |
| InChIKey | QFWAKDZPZNYDFY-UHFFFAOYSA-N |
| SMILES | CC(COC(N(C(C(OCCCCC)=O)C(C)C)C)=O)C |