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N-[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]-1,3-benzoxazol-2-amine
SpectraBase Compound ID 5d9R9yKvmje
InChI InChI=1S/C16H9F3N4OS/c17-16(18,19)13-8-10(12-6-3-7-25-12)20-14(22-13)23-15-21-9-4-1-2-5-11(9)24-15/h1-8H,(H,20,21,22,23)
InChIKey AYULLHRYBLVTJR-UHFFFAOYSA-N
Mol Weight 362.33 g/mol
Molecular Formula C16H9F3N4OS
Exact Mass 362.044917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Rx4DZ6XpY1
Name N-[4-(2-Thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]-1,3-benzoxazol-2-amine
Comments Computed using HOSE algorithm
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Exact Mass 362.044916588 u
Formula C16H9F3N4OS
InChI InChI=1S/C16H9F3N4OS/c17-16(18,19)13-8-10(12-6-3-7-25-12)20-14(22-13)23-15-21-9-4-1-2-5-11(9)24-15/h1-8H,(H,20,21,22,23)
InChIKey AYULLHRYBLVTJR-UHFFFAOYSA-N
Molecular Weight 362.330 g/mol
SMILES N(C=1N=C(C(F)(F)F)C=C(N1)C=1SC=CC1)C1=NC=2C=CC=CC2O1