| SpectraBase Compound ID | D36yw72IUR7 |
|---|---|
| InChI | InChI=1S/C22H43NO4S/c1-5-6-7-8-9-10-11-12-13-14-16-26-21(24)20(15-17-28-4)23-22(25)27-18-19(2)3/h19-20H,5-18H2,1-4H3,(H,23,25) |
| InChIKey | HYLOFIICVOQECK-UHFFFAOYSA-N |
| Mol Weight | 417.6 g/mol |
| Molecular Formula | C22H43NO4S |
| Exact Mass | 417.29128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmEFzjOLPPN |
|---|---|
| Name | L-Methionine, N-isobutoxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 417.291280039 u |
| Formula | C22H43NO4S |
| InChI | InChI=1S/C22H43NO4S/c1-5-6-7-8-9-10-11-12-13-14-16-26-21(24)20(15-17-28-4)23-22(25)27-18-19(2)3/h19-20H,5-18H2,1-4H3,(H,23,25) |
| InChIKey | HYLOFIICVOQECK-UHFFFAOYSA-N |
| Molecular Weight | 417.649 g/mol |
| SMILES | CC(C)COC(NC(C(OCCCCCCCCCCCC)=O)CCSC)=O |