| SpectraBase Compound ID | IPoVxUFaGyH |
|---|---|
| InChI | InChI=1S/C15H28N2O5/c1-9(2)11(17(6)15(20)22-8)13(18)16(5)12(10(3)4)14(19)21-7/h9-12H,1-8H3 |
| InChIKey | XFNXAHSQJKQORZ-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C15H28N2O5 |
| Exact Mass | 316.199822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Go9aFNrvLom |
|---|---|
| Name | val-val, N,N'-Dimethyl-N-methoxycarbonyl-, methyl ester (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.199822005 u |
| Formula | C15H28N2O5 |
| InChI | InChI=1S/C15H28N2O5/c1-9(2)11(17(6)15(20)22-8)13(18)16(5)12(10(3)4)14(19)21-7/h9-12H,1-8H3 |
| InChIKey | XFNXAHSQJKQORZ-UHFFFAOYSA-N |
| Molecular Weight | 316.398 g/mol |
| SMILES | CC(C(C(N(C(C(C)C)C(OC)=O)C)=O)N(C)C(OC)=O)C |