| SpectraBase Compound ID | 611sWPNkEcf |
|---|---|
| InChI | InChI=1S/C16H31NO4S/c1-15(2,3)10-20-13(18)12(8-9-22-7)17-14(19)21-11-16(4,5)6/h12H,8-11H2,1-7H3,(H,17,19) |
| InChIKey | XXPUKMZBLSYWIO-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 | 8rnqhsUvE4T |
|---|---|
| Name | L-Methionine, N-neopentyloxycarbonyl-, neopentyl 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/c1-15(2,3)10-20-13(18)12(8-9-22-7)17-14(19)21-11-16(4,5)6/h12H,8-11H2,1-7H3,(H,17,19) |
| InChIKey | XXPUKMZBLSYWIO-UHFFFAOYSA-N |
| Molecular Weight | 333.487 g/mol |
| SMILES | CC(COC(NC(C(OCC(C)(C)C)=O)CCSC)=O)(C)C |