| SpectraBase Compound ID | DiTiJuktR9D |
|---|---|
| InChI | InChI=1S/C18H35NO4S/c1-4-6-8-9-10-11-14-22-17(20)16(12-15-24-3)19-18(21)23-13-7-5-2/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey | OCDOSXWYKFLYPW-UHFFFAOYSA-N |
| Mol Weight | 361.5 g/mol |
| Molecular Formula | C18H35NO4S |
| Exact Mass | 361.22868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUVEobWrA0p |
|---|---|
| Name | L-Methionine, N-butoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.228679781 u |
| Formula | C18H35NO4S |
| InChI | InChI=1S/C18H35NO4S/c1-4-6-8-9-10-11-14-22-17(20)16(12-15-24-3)19-18(21)23-13-7-5-2/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey | OCDOSXWYKFLYPW-UHFFFAOYSA-N |
| Molecular Weight | 361.541 g/mol |
| SMILES | CCCCOC(NC(C(OCCCCCCCC)=O)CCSC)=O |