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1-(4-Fluorophenyl)-1-(benzotriazol-1-yl)hept-6-en-3-ol isomer
SpectraBase Compound ID 7t1hJW1NWBn
InChI InChI=1S/C19H20FN3O/c1-2-3-6-16(24)13-19(14-9-11-15(20)12-10-14)23-18-8-5-4-7-17(18)21-22-23/h2,4-5,7-12,16,19,24H,1,3,6,13H2
InChIKey LPMALBRPHUAKES-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C19H20FN3O
Exact Mass 325.15904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHPoi7QGRlX
Name 1-(4-Fluorophenyl)-1-(benzotriazol-1-yl)hept-6-en-3-ol isomer
Alternate Name(s) 1-(1H-1,2,3-benzotriazol-1-yl)-1-(4-fluorophenyl)-6-hepten-3-ol
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Formula C19H20FN3O
InChI InChI=1S/C19H20FN3O/c1-2-3-6-16(24)13-19(14-9-11-15(20)12-10-14)23-18-8-5-4-7-17(18)21-22-23/h2,4-5,7-12,16,19,24H,1,3,6,13H2
InChIKey LPMALBRPHUAKES-UHFFFAOYSA-N
Molecular Weight 325.387 g/mol
SMILES OC(CC([n]1nnc2c1cccc2)c1ccc(cc1)F)CCC=C
SPLASH splash10-0002-0940000000-5fa77ee60be0037b13b3
Source of Spectrum F-55-4275-9
Wiley ID 837607