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Naphthalene-1-carboxylic acid [1-(2-fluoro-benzyl)-1H-benzoimidazol-2-yl]-phenyl-methyl ester
SpectraBase Compound ID LX0Ey5BwaFU
InChI InChI=1S/C32H23FN2O2/c33-27-18-7-5-14-24(27)21-35-29-20-9-8-19-28(29)34-31(35)30(23-12-2-1-3-13-23)37-32(36)26-17-10-15-22-11-4-6-16-25(22)26/h1-20,30H,21H2
InChIKey GOLOILXZJBAMCK-UHFFFAOYSA-N
Mol Weight 486.5 g/mol
Molecular Formula C32H23FN2O2
Exact Mass 486.174356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEwvSKHuIwq
Name Naphthalene-1-carboxylic acid [1-(2-fluoro-benzyl)-1H-benzoimidazol-2-yl]-phenyl-methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.174356150 u
Formula C32H23FN2O2
InChI InChI=1S/C32H23FN2O2/c33-27-18-7-5-14-24(27)21-35-29-20-9-8-19-28(29)34-31(35)30(23-12-2-1-3-13-23)37-32(36)26-17-10-15-22-11-4-6-16-25(22)26/h1-20,30H,21H2
InChIKey GOLOILXZJBAMCK-UHFFFAOYSA-N
Molecular Weight 486.546 g/mol
SMILES C=1(N(C=2C=CC=CC2N1)CC1=C(F)C=CC=C1)C(OC(C1=C2C(C=CC=C2)=CC=C1)=O)C1=CC=CC=C1