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3-Butyl-1-trifluoromethylbenzene
SpectraBase Compound ID 7dq0QPNxLYs
InChI InChI=1S/C11H13F3/c1-2-3-5-9-6-4-7-10(8-9)11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKey YVVAJOZGGOYHOE-UHFFFAOYSA-N
Mol Weight 202.22 g/mol
Molecular Formula C11H13F3
Exact Mass 202.096935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIJDDySgCEC
Name 3-Butyl-1-trifluoromethylbenzene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13F3
InChI InChI=1S/C11H13F3/c1-2-3-5-9-6-4-7-10(8-9)11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKey YVVAJOZGGOYHOE-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812537
Molecular Weight 202.220 g/mol
Reported Formula C11H13F3
SMILES c1cc(cc(c1)CCCC)C(F)(F)F
SPLASH splash10-0002-0900000000-a6d2492c2e41c06b1cdd
Source of Spectrum ACI-58-SM17-2gd
Wiley ID 1840604