| SpectraBase Compound ID | ITm7dH588j4 |
|---|---|
| InChI | InChI=1S/C13H25NO4S/c1-10(2)6-5-8-18-12(15)11(7-9-19-4)14-13(16)17-3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | WLDJMYSCPVZJHN-UHFFFAOYSA-N |
| Mol Weight | 291.41 g/mol |
| Molecular Formula | C13H25NO4S |
| Exact Mass | 291.150429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Ak6bcKXvLY |
|---|---|
| Name | L-Methionine, N-methoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.150429459 u |
| Formula | C13H25NO4S |
| InChI | InChI=1S/C13H25NO4S/c1-10(2)6-5-8-18-12(15)11(7-9-19-4)14-13(16)17-3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | WLDJMYSCPVZJHN-UHFFFAOYSA-N |
| SMILES | COC(NC(C(OCCCC(C)C)=O)CCSC)=O |