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Urea, 1-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-(2-benzothiazolyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Urea, 1-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-(2-benzothiazolyl)-
SpectraBase Compound ID JaGpDqwCk1o
InChI InChI=1S/C11H7F6N3OS/c12-10(13,14)7(11(15,16)17)19-8(21)20-9-18-5-3-1-2-4-6(5)22-9/h1-4,7H,(H2,18,19,20,21)
InChIKey IWOBYNATRWCSAF-UHFFFAOYSA-N
Mol Weight 343.25 g/mol
Molecular Formula C11H7F6N3OS
Exact Mass 343.021402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlPPxnI3M8S
Name Urea, 1-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-(2-benzothiazolyl)-
Comments Computed using HOSE algorithm
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Exact Mass 343.021402008 u
Formula C11H7F6N3OS
InChI InChI=1S/C11H7F6N3OS/c12-10(13,14)7(11(15,16)17)19-8(21)20-9-18-5-3-1-2-4-6(5)22-9/h1-4,7H,(H2,18,19,20,21)
InChIKey IWOBYNATRWCSAF-UHFFFAOYSA-N
Molecular Weight 343.247 g/mol
SMILES C12=CC=CC=C2N=C(S1)NC(NC(C(F)(F)F)C(F)(F)F)=O