| SpectraBase Compound ID | 2eDCDwcG3kH |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-6-7-8-9-10-11-20-14(17)13(12(2)3)16(4)15(18)19-5/h12-13H,6-11H2,1-5H3 |
| InChIKey | SJASCLAPUXHUKG-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H29NO4 |
| Exact Mass | 287.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76wJQJEgqkv |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.209658414 u |
| Formula | C15H29NO4 |
| InChI | InChI=1S/C15H29NO4/c1-6-7-8-9-10-11-20-14(17)13(12(2)3)16(4)15(18)19-5/h12-13H,6-11H2,1-5H3 |
| InChIKey | SJASCLAPUXHUKG-UHFFFAOYSA-N |
| SMILES | COC(N(C(C(OCCCCCCC)=O)C(C)C)C)=O |