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Methyl 3-(1,1,1-trifluoro-3-(2-oxopyridin-1(2H)-yl)propan-2-yl)benzoate
SpectraBase Compound ID 15JIOgQzij5
InChI InChI=1S/C16H14F3NO3/c1-23-15(22)12-6-4-5-11(9-12)13(16(17,18)19)10-20-8-3-2-7-14(20)21/h2-9,13H,10H2,1H3
InChIKey JJQKMFHOIWAJBB-UHFFFAOYSA-N
Mol Weight 325.29 g/mol
Molecular Formula C16H14F3NO3
Exact Mass 325.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEUuJubQFeQ
Name Methyl 3-(1,1,1-trifluoro-3-(2-oxopyridin-1(2H)-yl)propan-2-yl)benzoate
Appearance Yellow oil
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Exact Mass 325.092577801 u
Formula C16H14F3NO3
InChI InChI=1S/C16H14F3NO3/c1-23-15(22)12-6-4-5-11(9-12)13(16(17,18)19)10-20-8-3-2-7-14(20)21/h2-9,13H,10H2,1H3
InChIKey JJQKMFHOIWAJBB-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/asia.202300144
Molecular Weight 325.287 g/mol
Quality 966
Reported Formula C16H14F3NO3
SMILES C(CN1C=CC=CC1=O)(C1=CC=CC(=C1)C(=O)OC)C(F)(F)F
SPLASH splash10-0002-9624000000-b616d262d8747b356406
Source of Spectrum CAJ-18-SM39-3ja (DOI: 10.1002/asia.202300144)
Wiley ID 1909840