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N-[(E)-[(E)-3-(2-fluorophenyl)-1-methyl-prop-2-enylidene]amino]-2-hexoxy-benzamide
SpectraBase Compound ID Ha8DIG8d8A7
InChI InChI=1S/C23H27FN2O2/c1-3-4-5-10-17-28-22-14-9-7-12-20(22)23(27)26-25-18(2)15-16-19-11-6-8-13-21(19)24/h6-9,11-16H,3-5,10,17H2,1-2H3,(H,26,27)/b16-15+,25-18+
InChIKey FYXHZJBNTSDURG-QNEWAYLUSA-N
Mol Weight 382.48 g/mol
Molecular Formula C23H27FN2O2
Exact Mass 382.205656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5TtOLDe1fX
Name N-[(E)-[(E)-3-(2-fluorophenyl)-1-methyl-prop-2-enylidene]amino]-2-hexoxy-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 382.205656278 u
Formula C23H27FN2O2
InChI InChI=1S/C23H27FN2O2/c1-3-4-5-10-17-28-22-14-9-7-12-20(22)23(27)26-25-18(2)15-16-19-11-6-8-13-21(19)24/h6-9,11-16H,3-5,10,17H2,1-2H3,(H,26,27)/b16-15+,25-18+
InChIKey FYXHZJBNTSDURG-QNEWAYLUSA-N
Molecular Weight 382.479 g/mol
SMILES C=1(C(N\N=C\(\C=C\C=2C(F)=CC=CC2)C)=O)C(OCCCCCC)=CC=CC1