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1-Methoxy-4-(1,1,1-trifluorohept-2-en-2-yl)benzene
SpectraBase Compound ID Hptr6MujBWm
InChI InChI=1S/C14H17F3O/c1-3-4-5-6-13(14(15,16)17)11-7-9-12(18-2)10-8-11/h6-10H,3-5H2,1-2H3
InChIKey HIZWCZGECMEXCZ-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H17F3O
Exact Mass 258.12315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YfzMmzQyhe
Name 1-Methoxy-4-(1,1,1-trifluorohept-2-en-2-yl)benzene
Appearance Colorless oil
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Exact Mass 258.123149655 u
Formula C14H17F3O
GC Column HP-5 MS (30 m x 250 micrometer, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C14H17F3O/c1-3-4-5-6-13(14(15,16)17)11-7-9-12(18-2)10-8-11/h6-10H,3-5H2,1-2H3
InChIKey HIZWCZGECMEXCZ-UHFFFAOYSA-N
Instrument Name Agilent 7890B GC-5977B MSD
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/adsc.202300491
Molecular Weight 258.284 g/mol
Quality 720
Reported Formula C14H17F3O
SMILES C(=CCCCC)(C1=CC=C(C=C1)OC)C(F)(F)F
SPLASH splash10-1000-0890000000-b9ca6e9278fb0305489a
Sample Comments E/Z = 2.3:1
Source of Spectrum ASC-365-SM24-2m (DOI: 10.1002/adsc.202300491)
Wiley ID 1909694