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methyl 2-fluoro-6-(3-methoxy-3-oxo-propyl)benzoate
SpectraBase Compound ID EECskEJSn58
InChI InChI=1S/C12H13FO4/c1-16-10(14)7-6-8-4-3-5-9(13)11(8)12(15)17-2/h3-5H,6-7H2,1-2H3
InChIKey YUTSLMNXKZDWML-UHFFFAOYSA-N
Mol Weight 240.23 g/mol
Molecular Formula C12H13FO4
Exact Mass 240.079787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCJMRTHxCcv
Name methyl 2-fluoro-6-(3-methoxy-3-oxo-propyl)benzoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.079787058 u
Formula C12H13FO4
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C12H13FO4/c1-16-10(14)7-6-8-4-3-5-9(13)11(8)12(15)17-2/h3-5H,6-7H2,1-2H3
InChIKey YUTSLMNXKZDWML-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 240.230 g/mol
Reported Formula C12H13FO4
SMILES COC(C1=C(C=CC=C1CCC(=O)OC)F)=O
SPLASH splash10-001i-0900000000-0f93ef78a7b7b829c0b3
Source of Spectrum QE-24-SM23-3em (DOI: 10.1002/chem.201800757)
Wiley ID 1900146