![N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide](/api/spectrum/EO6s2xYtCxJ/structure.png?h=300&w=458 "N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide")
| SpectraBase Compound ID | BPkWESR1Tnf |
|---|---|
| InChI | InChI=1S/C15H9F3N2OS/c16-15(17,18)14(21)19-10-7-5-9(6-8-10)13-20-11-3-1-2-4-12(11)22-13/h1-8H,(H,19,21) |
| InChIKey | YJRNLSYFJPRKEE-UHFFFAOYSA-N |
| Mol Weight | 322.31 g/mol |
| Molecular Formula | C15H9F3N2OS |
| Exact Mass | 322.038769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EO6s2xYtCxJ |
|---|---|
| Name | N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.038768580 u |
| Formula | C15H9F3N2OS |
| InChI | InChI=1S/C15H9F3N2OS/c16-15(17,18)14(21)19-10-7-5-9(6-8-10)13-20-11-3-1-2-4-12(11)22-13/h1-8H,(H,19,21) |
| InChIKey | YJRNLSYFJPRKEE-UHFFFAOYSA-N |
| Molecular Weight | 322.305 g/mol |
| SMILES | N(C(C(F)(F)F)=O)C1=CC=C(C2=NC=3C=CC=CC3S2)C=C1 |