| SpectraBase Compound ID | 80PLgs5Q2D6 |
|---|---|
| InChI | InChI=1S/C12H9F3N2OS/c1-7-9(8-5-3-2-4-6-8)16-11(19-7)17-10(18)12(13,14)15/h2-6H,1H3,(H,16,17,18) |
| InChIKey | MQIGOALBFDVSRC-UHFFFAOYSA-N |
| Mol Weight | 286.27 g/mol |
| Molecular Formula | C12H9F3N2OS |
| Exact Mass | 286.038769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XKG8eUDFtd |
|---|---|
| Name | 2-Amino-5-methyl-4-phenylthiazole, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.038768580 u |
| Formula | C12H9F3N2OS |
| InChI | InChI=1S/C12H9F3N2OS/c1-7-9(8-5-3-2-4-6-8)16-11(19-7)17-10(18)12(13,14)15/h2-6H,1H3,(H,16,17,18) |
| InChIKey | MQIGOALBFDVSRC-UHFFFAOYSA-N |
| Molecular Weight | 286.272 g/mol |
| SMILES | C=1(NC(C(F)(F)F)=O)SC(C)=C(N1)C1=CC=CC=C1 |