| SpectraBase Compound ID | 4OcGwJXTKe6 |
|---|---|
| InChI | InChI=1S/C16H31NO4S/c1-5-6-10-21-16(19)17-14(9-12-22-4)15(18)20-11-7-8-13(2)3/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | ILOLLPJOGXDKPB-UHFFFAOYSA-N |
| Mol Weight | 333.49 g/mol |
| Molecular Formula | C16H31NO4S |
| Exact Mass | 333.19738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UGwwlUJE7V |
|---|---|
| Name | L-Methionine, N-butoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.197379652 u |
| Formula | C16H31NO4S |
| InChI | InChI=1S/C16H31NO4S/c1-5-6-10-21-16(19)17-14(9-12-22-4)15(18)20-11-7-8-13(2)3/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | ILOLLPJOGXDKPB-UHFFFAOYSA-N |
| Molecular Weight | 333.487 g/mol |
| SMILES | CCCCOC(NC(C(OCCCC(C)C)=O)CCSC)=O |