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4-Fluoro-4-methylhexyl benzoate

View entire compound with spectra: 1 MS (GC)

4-Fluoro-4-methylhexyl benzoate
SpectraBase Compound ID C1gi5y4EZdH
InChI InChI=1S/C14H19FO2/c1-3-14(2,15)10-7-11-17-13(16)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKey ZYNGQDJIOVMDIG-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C14H19FO2
Exact Mass 238.136908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zaTutSsnLw
Name 4-Fluoro-4-methylhexyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.136908013 u
Formula C14H19FO2
InChI InChI=1S/C14H19FO2/c1-3-14(2,15)10-7-11-17-13(16)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKey ZYNGQDJIOVMDIG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 238.302 g/mol
Quality 251
Reported Formula C14H19FO2
SMILES C(CCCOC(C1=CC=CC=C1)=O)(F)(CC)C
SPLASH splash10-0aba-7900000000-7937afe0d7fd84db7d92
Source of Spectrum ACI-56-SM22-1o (DOI: 10.1002/anie.201708197)
Wiley ID 1896557