| SpectraBase Compound ID | ButO2vGi8U0 |
|---|---|
| InChI | InChI=1S/C13H23NO4/c1-5-8-18-13(16)14-11(4)12(15)17-9-6-7-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,14,16) |
| InChIKey | ZSNPDMRGRZCGNW-UHFFFAOYSA-N |
| Mol Weight | 257.33 g/mol |
| Molecular Formula | C13H23NO4 |
| Exact Mass | 257.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbSBHAwRukT |
|---|---|
| Name | L-Alanine, N-allyloxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.162708221 u |
| Formula | C13H23NO4 |
| InChI | InChI=1S/C13H23NO4/c1-5-8-18-13(16)14-11(4)12(15)17-9-6-7-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,14,16) |
| InChIKey | ZSNPDMRGRZCGNW-UHFFFAOYSA-N |
| Molecular Weight | 257.330 g/mol |
| SMILES | C=CCOC(NC(C(OCCCC(C)C)=O)C)=O |