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tert-Butyl 4-Fluorobenzoate
SpectraBase Compound ID 4SRHJgFqAVO
InChI InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey ZZLARVGXLOCKHG-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 3fSjUGWA15E
Name tert-Butyl 4-Fluorobenzoate
Appearance Colorless violet oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13FO2
InChI InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey ZZLARVGXLOCKHG-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
SMILES C(OC(C)(C)C)(c1ccc(cc1)F)=O
SPLASH splash10-0abc-9700000000-2e2f5f81b4cbec571783
Source of Spectrum JOC-86-11619-4e
Thin-Layer Chromatography Rf = 0.22 (hexane/EtOAc, 10:1)
Wiley ID 1867934