| SpectraBase Compound ID | nmV3bYzmEO |
|---|---|
| InChI | InChI=1S/C9H12F3NO5S/c1-17-6(14)4-19-3-5(7(15)18-2)13-8(16)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16) |
| InChIKey | GNNPRUQEGRXNHR-UHFFFAOYSA-N |
| Mol Weight | 303.25 g/mol |
| Molecular Formula | C9H12F3NO5S |
| Exact Mass | 303.038828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCo78qOyMbm |
|---|---|
| Name | L-Cysteine, S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.038828148 u |
| Formula | C9H12F3NO5S |
| InChI | InChI=1S/C9H12F3NO5S/c1-17-6(14)4-19-3-5(7(15)18-2)13-8(16)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16) |
| InChIKey | GNNPRUQEGRXNHR-UHFFFAOYSA-N |
| Molecular Weight | 303.252 g/mol |
| SMILES | COC(=O)CSC[C@](NC(=O)C(F)(F)F)(C(OC)=O)[H] |