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(E)-N-Methyl-4-phenyl-N-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)but-3-en-1-amine
SpectraBase Compound ID GGsndwmwqUt
InChI InChI=1S/C27H28F3NO/c1-31(20-9-8-12-22-10-4-2-5-11-22)21-19-26(23-13-6-3-7-14-23)32-25-17-15-24(16-18-25)27(28,29)30/h2-8,10-18,26H,9,19-21H2,1H3/b12-8+
InChIKey HYLCCFJCMLWVMB-XYOKQWHBSA-N
Mol Weight 439.52 g/mol
Molecular Formula C27H28F3NO
Exact Mass 439.212299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLg0gYxpqwl
Name (E)-N-Methyl-4-phenyl-N-(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)but-3-en-1-amine
Appearance Colorless oil
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Exact Mass 439.212299014 u
Formula C27H28F3NO
InChI InChI=1S/C27H28F3NO/c1-31(20-9-8-12-22-10-4-2-5-11-22)21-19-26(23-13-6-3-7-14-23)32-25-17-15-24(16-18-25)27(28,29)30/h2-8,10-18,26H,9,19-21H2,1H3/b12-8+
InChIKey HYLCCFJCMLWVMB-XYOKQWHBSA-N
Instrument Name Finnigan MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202304445
Molecular Weight 439.522 g/mol
Quality 78
Reported Formula C27H28NOF3
SMILES C=1C=CC=C(\C=C\CCN(C)CCC(C=2C=CC=CC2)OC=2C=CC(C(F)(F)F)=CC2)C1
SPLASH splash10-00di-0739200000-b0eecba61623090e701c
Source of Spectrum ACI-62-SM32-1c (DOI: 10.1002/anie.202304445)
Wiley ID 1911121