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1-butoxy-3-fluoro-5-(trifluoromethyl)benzene
SpectraBase Compound ID DDbToKA2cL2
InChI InChI=1S/C11H12F4O/c1-2-3-4-16-10-6-8(11(13,14)15)5-9(12)7-10/h5-7H,2-4H2,1H3
InChIKey VPRJBGVBDABBFA-UHFFFAOYSA-N
Mol Weight 236.21 g/mol
Molecular Formula C11H12F4O
Exact Mass 236.082428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Et7piXW2uQD
Name 1-butoxy-3-fluoro-5-(trifluoromethyl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12F4O
InChI InChI=1S/C11H12F4O/c1-2-3-4-16-10-6-8(11(13,14)15)5-9(12)7-10/h5-7H,2-4H2,1H3
InChIKey VPRJBGVBDABBFA-UHFFFAOYSA-N
Instrument Name Agilent 7820A-5975
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107820
Molecular Weight 236.210 g/mol
SMILES c1(cc(cc(c1)OCCCC)C(F)(F)F)F
SPLASH splash10-001i-3910000000-d735e6e039806918e65c
Source of Spectrum ACI-60-SM42-74
Thin-Layer Chromatography Rf = 0.67 (Hexanes/EtOAc, 20:1)
Wiley ID 1882666