| SpectraBase Compound ID | 29JljM5Wwj9 |
|---|---|
| InChI | InChI=1S/C14H16F3NO3S/c1-21-13(20)11(6-7-22-2)18-12(19)9-4-3-5-10(8-9)14(15,16)17/h3-5,8,11H,6-7H2,1-2H3,(H,18,19) |
| InChIKey | GIHUTHNRDKAYDT-UHFFFAOYSA-N |
| Mol Weight | 335.34 g/mol |
| Molecular Formula | C14H16F3NO3S |
| Exact Mass | 335.080299 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 | 6QtecZgjnyP |
|---|---|
| Name | L-Methionine, N-(3-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(6-7-22-2)18-12(19)9-4-3-5-10(8-9)14(15,16)17/h3-5,8,11H,6-7H2,1-2H3,(H,18,19) |
| InChIKey | GIHUTHNRDKAYDT-UHFFFAOYSA-N |
| Molecular Weight | 335.341 g/mol |
| SMILES | C1=CC=C(C=C1C(F)(F)F)C(NC(CCSC)C(OC)=O)=O |