| SpectraBase Compound ID | GbSmTKsKIxd |
|---|---|
| InChI | InChI=1S/C21H37NO4S/c1-4-6-7-8-9-10-11-12-13-14-17-25-20(23)19(15-18-27-3)22-21(24)26-16-5-2/h2,19H,4,6-18H2,1,3H3,(H,22,24) |
| InChIKey | WFXZLYRPOSMUSE-UHFFFAOYSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C21H37NO4S |
| Exact Mass | 399.24433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ji6PsWQk9zw |
|---|---|
| Name | L-Methionine, N-propargyloxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.244329845 u |
| Formula | C21H37NO4S |
| InChI | InChI=1S/C21H37NO4S/c1-4-6-7-8-9-10-11-12-13-14-17-25-20(23)19(15-18-27-3)22-21(24)26-16-5-2/h2,19H,4,6-18H2,1,3H3,(H,22,24) |
| InChIKey | WFXZLYRPOSMUSE-UHFFFAOYSA-N |
| Molecular Weight | 399.590 g/mol |
| SMILES | C#CCOC(NC(C(OCCCCCCCCCCCC)=O)CCSC)=O |