| SpectraBase Compound ID | 30Q6pzVodq |
|---|---|
| InChI | InChI=1S/C14H7F3N2O2S2/c15-14(16,17)8-5-6-12(10(7-8)19(20)21)23-13-18-9-3-1-2-4-11(9)22-13/h1-7H |
| InChIKey | SEGPVSGEMQVJSQ-UHFFFAOYSA-N |
| Mol Weight | 356.34 g/mol |
| Molecular Formula | C14H7F3N2O2S2 |
| Exact Mass | 355.990104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BUdWVESqVjl |
|---|---|
| Name | 2-(2-Nitro-4-trifluoromethyl-phenylsulfanyl)-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.990104308 u |
| Formula | C14H7F3N2O2S2 |
| InChI | InChI=1S/C14H7F3N2O2S2/c15-14(16,17)8-5-6-12(10(7-8)19(20)21)23-13-18-9-3-1-2-4-11(9)22-13/h1-7H |
| InChIKey | SEGPVSGEMQVJSQ-UHFFFAOYSA-N |
| Molecular Weight | 356.337 g/mol |
| SMILES | C1(=NC=2C=CC=CC2S1)SC1=C(N(=O)=O)C=C(C(F)(F)F)C=C1 |