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4-(4'-Methoxybenzylidene)-2-hydroxy-3-pinone
SpectraBase Compound ID 55Fo4MdZmif
InChI InChI=1S/C18H22O3/c1-17(2)14-10-15(17)18(3,20)16(19)13(14)9-11-5-7-12(21-4)8-6-11/h5-9,14-15,20H,10H2,1-4H3/t14-,15-,18?/m0/s1
InChIKey LJGLLLTZWFFDGO-INHRHCAVSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lcXnIYibD5
Name 4-(4'-Methoxybenzylidene)-2-hydroxy-3-pinone
Appearance Pale yellow needle crystals
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-17(2)14-10-15(17)18(3,20)16(19)13(14)9-11-5-7-12(21-4)8-6-11/h5-9,14-15,20H,10H2,1-4H3/t14-,15-,18?/m0/s1
InChIKey LJGLLLTZWFFDGO-INHRHCAVSA-N
Ionization Type EI
Molecular Weight 286.371 g/mol
Optical Rotation [a]D20 = -17.6 (c = 0.5, CH3OH)
SMILES OC1(C)[C@]2(C[C@@](C(C1=O)=Cc1ccc(cc1)OC)(C2(C)C)[H])[H]
SPLASH splash10-000j-6920000000-dfae23fc059981185883
Source of Spectrum CN102826983A
Wiley ID 1846618