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1-[(2-fluorophenyl)methyl]-2-(4-methylphenoxymethyl)-1H-1,3-benzodiazole
SpectraBase Compound ID 2yQBpqNMD0G
InChI InChI=1S/C22H19FN2O/c1-16-10-12-18(13-11-16)26-15-22-24-20-8-4-5-9-21(20)25(22)14-17-6-2-3-7-19(17)23/h2-13H,14-15H2,1H3
InChIKey ILJDYSOYFIGXDJ-UHFFFAOYSA-N
Mol Weight 346.41 g/mol
Molecular Formula C22H19FN2O
Exact Mass 346.148141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28e08kwYGBu
Name 1-[(2-Fluorophenyl)methyl]-2-(4-methylphenoxymethyl)-1H-1,3-benzodiazole
Comments Computed using HOSE algorithm
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Exact Mass 346.148141402 u
Formula C22H19FN2O
InChI InChI=1S/C22H19FN2O/c1-16-10-12-18(13-11-16)26-15-22-24-20-8-4-5-9-21(20)25(22)14-17-6-2-3-7-19(17)23/h2-13H,14-15H2,1H3
InChIKey ILJDYSOYFIGXDJ-UHFFFAOYSA-N
Molecular Weight 346.405 g/mol
SMILES C1(=CC=CC=C1CN1C=2C=CC=CC2N=C1COC1=CC=C(C=C1)C)F