![2-{[m-(Trifluoromethyl)benzyl]sulfonyl}benzothiazole](/api/spectrum/69gbJD415VD/structure.png?h=300&w=458 "2-{[m-(Trifluoromethyl)benzyl]sulfonyl}benzothiazole")
| SpectraBase Compound ID | AwxV0dBAfVW |
|---|---|
| InChI | InChI=1S/C15H10F3NO2S2/c16-15(17,18)11-5-3-4-10(8-11)9-23(20,21)14-19-12-6-1-2-7-13(12)22-14/h1-8H,9H2 |
| InChIKey | XDJFIHHUINBXQZ-UHFFFAOYSA-N |
| Mol Weight | 357.37 g/mol |
| Molecular Formula | C15H10F3NO2S2 |
| Exact Mass | 357.010505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69gbJD415VD |
|---|---|
| Name | 2-{[m-(Trifluoromethyl)benzyl]sulfonyl}benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.010505401 u |
| Formula | C15H10F3NO2S2 |
| InChI | InChI=1S/C15H10F3NO2S2/c16-15(17,18)11-5-3-4-10(8-11)9-23(20,21)14-19-12-6-1-2-7-13(12)22-14/h1-8H,9H2 |
| InChIKey | XDJFIHHUINBXQZ-UHFFFAOYSA-N |
| Molecular Weight | 357.365 g/mol |
| SMILES | C(F)(F)(F)C=1C=C(C=CC1)CS(C1=NC2=C(C=CC=C2)S1)(=O)=O |