| SpectraBase Compound ID | D4ejaR1G6Zm |
|---|---|
| InChI | InChI=1S/C10H12FNO4S/c1-16-10(13)7-12(17(2,14)15)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3 |
| InChIKey | DBGYURZBDGIZQU-UHFFFAOYSA-N |
| Mol Weight | 261.27 g/mol |
| Molecular Formula | C10H12FNO4S |
| Exact Mass | 261.047107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADhykDfnjim |
|---|---|
| Name | Glycine, N-(4-fluorophenyl)-N-(methylsulfonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.047107203 u |
| Formula | C10H12FNO4S |
| InChI | InChI=1S/C10H12FNO4S/c1-16-10(13)7-12(17(2,14)15)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3 |
| InChIKey | DBGYURZBDGIZQU-UHFFFAOYSA-N |
| Molecular Weight | 261.267 g/mol |
| SMILES | C(N(C1=CC=C(C=C1)F)S(C)(=O)=O)C(OC)=O |