| SpectraBase Compound ID | 4rmZMwz6yz5 |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-8(2)11(12(15)17-9(3)4)14(7)13(16)18-10(5)6/h8-11H,1-7H3 |
| InChIKey | SAGNOCPQCMOFMD-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | At2xzYGP297 |
|---|---|
| Name | L-Valine, N-methyl-N-(isopropyloxycarbonyl)-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-8(2)11(12(15)17-9(3)4)14(7)13(16)18-10(5)6/h8-11H,1-7H3 |
| InChIKey | SAGNOCPQCMOFMD-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CC(C(C(OC(C)C)=O)N(C)C(OC(C)C)=O)C |