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Butyl 4-Fluorobenzoate
SpectraBase Compound ID 2IRT6reQiI9
InChI InChI=1S/C11H13FO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3
InChIKey ZKGLXPKJEGYMNT-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C11H13FO2
Exact Mass 196.089958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXwpGW8bJHj
Name Butyl 4-Fluorobenzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13FO2
InChI InChI=1S/C11H13FO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3
InChIKey ZKGLXPKJEGYMNT-UHFFFAOYSA-N
Instrument Name Thermo scientific LCQ/Agilent 5975B-7890N MSD/ GCT premier
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c01169
Molecular Weight 196.221 g/mol
Reported Formula C11H13FO2
SMILES C(CCC)OC(c1ccc(cc1)F)=O
SPLASH splash10-006x-3900000000-f098cd97e79001696961
Source of Spectrum JOC-86-11619-4f
Thin-Layer Chromatography Rf = 0.46 (hexane/Et2O, 10:1)
Wiley ID 1867935