| SpectraBase Compound ID | 8IVo2aniO1r |
|---|---|
| InChI | InChI=1S/C9H14ClF2NO3S/c1-3-16-7(14)6(4-5-17-2)13-8(15)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15) |
| InChIKey | OMNSGFAPMYNXHD-UHFFFAOYSA-N |
| Mol Weight | 289.72 g/mol |
| Molecular Formula | C9H14ClF2NO3S |
| Exact Mass | 289.035099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B3EQqgY3IC |
|---|---|
| Name | L-Methionine, N-chlorodifluoroacetyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.035098512 u |
| Formula | C9H14ClF2NO3S |
| InChI | InChI=1S/C9H14ClF2NO3S/c1-3-16-7(14)6(4-5-17-2)13-8(15)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15) |
| InChIKey | OMNSGFAPMYNXHD-UHFFFAOYSA-N |
| Molecular Weight | 289.725 g/mol |
| SMILES | CSCCC(C(OCC)=O)NC(C(F)(F)Cl)=O |