| SpectraBase Compound ID | IO0E6kDLUKh |
|---|---|
| InChI | InChI=1S/C14H25NO4/c1-6-9-19-14(17)15(5)12(4)13(16)18-10-7-8-11(2)3/h6,11-12H,1,7-10H2,2-5H3 |
| InChIKey | KXKSQYCFKJXPRK-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C14H25NO4 |
| Exact Mass | 271.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pfJkKEQDXs |
|---|---|
| Name | Alanine, N-methyl-N-allyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.178358285 u |
| Formula | C14H25NO4 |
| InChI | InChI=1S/C14H25NO4/c1-6-9-19-14(17)15(5)12(4)13(16)18-10-7-8-11(2)3/h6,11-12H,1,7-10H2,2-5H3 |
| InChIKey | KXKSQYCFKJXPRK-UHFFFAOYSA-N |
| Molecular Weight | 271.357 g/mol |
| SMILES | C=CCOC(N(C(C(OCCCC(C)C)=O)C)C)=O |