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1-Hexyl-3-(trifluoromethyl)benzene
SpectraBase Compound ID 5WxOmJb8Pvb
InChI InChI=1S/C13H17F3/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14,15)16/h6,8-10H,2-5,7H2,1H3
InChIKey GSAVYPYZLDKAQN-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H17F3
Exact Mass 230.128235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ej3NSDX0lU
Name 1-Hexyl-3-(trifluoromethyl)benzene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17F3
InChI InChI=1S/C13H17F3/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14,15)16/h6,8-10H,2-5,7H2,1H3
InChIKey GSAVYPYZLDKAQN-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812537
Molecular Weight 230.274 g/mol
Reported Formula C13H17F3
SMILES c1cc(cc(c1)CCCCCC)C(F)(F)F
SPLASH splash10-0002-0920000000-22cfc940cb85cd4ef661
Source of Spectrum ACI-58-SM17-2gb
Wiley ID 1840603