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N-(3-Cyano-4,5,6,7-tetrahydrobenzo[B]thiophen-2-yl)-2-fluorobenzamide
SpectraBase Compound ID JI1oXObdU7i
InChI InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
InChIKey YVYPYORTKAIUGJ-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C16H13FN2OS
Exact Mass 300.073262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EI335HwXYtT
Name N-(3-Cyano-4,5,6,7-tetrahydrobenzo[B]thiophen-2-yl)-2-fluorobenzamide
Comments Computed using HOSE algorithm
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Exact Mass 300.073262383 u
Formula C16H13FN2OS
InChI InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
InChIKey YVYPYORTKAIUGJ-UHFFFAOYSA-N
Molecular Weight 300.351 g/mol
SMILES C(#N)C=1C2=C(CCCC2)SC1NC(=O)C1=C(F)C=CC=C1