![2-[2-[(2,2,2-Trifluoro-1-oxoethyl)amino]-4-thiazolyl]acetic acid](/api/spectrum/9T2H1KV5rh9/structure.png?h=300&w=458 "2-[2-[(2,2,2-Trifluoro-1-oxoethyl)amino]-4-thiazolyl]acetic acid")
| SpectraBase Compound ID | 1fZB2BWB7ND |
|---|---|
| InChI | InChI=1S/C7H5F3N2O3S/c8-7(9,10)5(15)12-6-11-3(2-16-6)1-4(13)14/h2H,1H2,(H,13,14)(H,11,12,15) |
| InChIKey | MSXZESGQSPPELV-UHFFFAOYSA-N |
| Mol Weight | 254.18 g/mol |
| Molecular Formula | C7H5F3N2O3S |
| Exact Mass | 253.997298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9T2H1KV5rh9 |
|---|---|
| Name | 2-[2-[(2,2,2-Trifluoro-1-oxoethyl)amino]-4-thiazolyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.997297689 u |
| Formula | C7H5F3N2O3S |
| InChI | InChI=1S/C7H5F3N2O3S/c8-7(9,10)5(15)12-6-11-3(2-16-6)1-4(13)14/h2H,1H2,(H,13,14)(H,11,12,15) |
| InChIKey | MSXZESGQSPPELV-UHFFFAOYSA-N |
| Molecular Weight | 254.183 g/mol |
| SMILES | C1(NC(C(F)(F)F)=O)=NC(CC(=O)O)=CS1 |