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3-(3,4-dimethylphenyl)-3-(4-fluoranyl-3-methyl-phenyl)propan-1-amine
SpectraBase Compound ID 1fvHCfORq8
InChI InChI=1S/C18H22FN/c1-12-4-5-15(10-13(12)2)17(8-9-20)16-6-7-18(19)14(3)11-16/h4-7,10-11,17H,8-9,20H2,1-3H3
InChIKey SZIQQBNRTSJTLL-UHFFFAOYSA-N
Mol Weight 271.38 g/mol
Molecular Formula C18H22FN
Exact Mass 271.173628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uhnBMvG7Y7
Name 3-(3,4-dimethylphenyl)-3-(4-fluoranyl-3-methyl-phenyl)propan-1-amine
Alternate Name(s) 3-(3,4-dimethylphenyl)-3-(4-fluoro-3-methyl-phenyl)propan-1-amine 3-(3,4-dimethylphenyl)-3-(4-fluoro-3-methylphenyl)-1-propanamine 3-(3,4-dimethylphenyl)-3-(4-fluoro-3-methylphenyl)propan-1-amine
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Formula C18H22FN
InChI InChI=1S/C18H22FN/c1-12-4-5-15(10-13(12)2)17(8-9-20)16-6-7-18(19)14(3)11-16/h4-7,10-11,17H,8-9,20H2,1-3H3
InChIKey SZIQQBNRTSJTLL-UHFFFAOYSA-N
Molecular Weight 271.379 g/mol
SMILES NCCC(c1cc(C)c(cc1)C)c1cc(C)c(cc1)F
SPLASH splash10-000i-0390000000-1689245bcb5758e82f32
Source of Spectrum QB-20-235-13
Wiley ID 842158