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(2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal
SpectraBase Compound ID 6jt0ONiOJXT
InChI InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
InChIKey DVWHSTKQJBIYCK-VMPITWQZSA-N
Mol Weight 307.37 g/mol
Molecular Formula C20H18FNO
Exact Mass 307.137242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwKPwR8n4BJ
Name (2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal
Comments Computed using HOSE algorithm
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Exact Mass 307.137242366 u
Formula C20H18FNO
InChI InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
InChIKey DVWHSTKQJBIYCK-VMPITWQZSA-N
Molecular Weight 307.368 g/mol
SMILES C1(F)=CC=C(C=C1)C=1C2=C(N(C1\C=C\C=O)C(C)C)C=CC=C2