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methyl 2-(3-(4-fluorophenyl)-3-oxopropyl)-6-methylbenzoate
SpectraBase Compound ID JJPQQipqVqu
InChI InChI=1S/C18H17FO3/c1-12-4-3-5-14(17(12)18(21)22-2)8-11-16(20)13-6-9-15(19)10-7-13/h3-7,9-10H,8,11H2,1-2H3
InChIKey DHOGNQQVPORKSW-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C18H17FO3
Exact Mass 300.116173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYkM5aKlUXr
Name methyl 2-(3-(4-fluorophenyl)-3-oxopropyl)-6-methylbenzoate
Appearance Colorless solid
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Exact Mass 300.116172567 u
Formula C18H17FO3
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C18H17FO3/c1-12-4-3-5-14(17(12)18(21)22-2)8-11-16(20)13-6-9-15(19)10-7-13/h3-7,9-10H,8,11H2,1-2H3
InChIKey DHOGNQQVPORKSW-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 300.329 g/mol
Quality 33
Reported Formula C18H17FO3
SMILES COC(C1=C(C=CC=C1C)CCC(=O)C1=CC=C(C=C1)F)=O
SPLASH splash10-00dj-1900000000-d65ebf11672558d7a697
Source of Spectrum QE-24-SM19-3ae (DOI: 10.1002/chem.201800757)
Wiley ID 1900131