| SpectraBase Compound ID | BICeBZ4kiLj |
|---|---|
| InChI | InChI=1S/C14H16F3NO3S/c1-21-13(20)11(7-8-22-2)18-12(19)9-5-3-4-6-10(9)14(15,16)17/h3-6,11H,7-8H2,1-2H3,(H,18,19) |
| InChIKey | RVQXGMNGQXKZSU-UHFFFAOYSA-N |
| Mol Weight | 335.34 g/mol |
| Molecular Formula | C14H16F3NO3S |
| Exact Mass | 335.080299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cvarSxY5cB |
|---|---|
| Name | L-Methionine, N-(2-trifluoromethylbenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.080299039 u |
| Formula | C14H16F3NO3S |
| InChI | InChI=1S/C14H16F3NO3S/c1-21-13(20)11(7-8-22-2)18-12(19)9-5-3-4-6-10(9)14(15,16)17/h3-6,11H,7-8H2,1-2H3,(H,18,19) |
| InChIKey | RVQXGMNGQXKZSU-UHFFFAOYSA-N |
| Molecular Weight | 335.341 g/mol |
| SMILES | CSCCC(C(OC)=O)NC(C=1C(C(F)(F)F)=CC=CC1)=O |