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1-(2-(4-Acetylphenyl)-3,3,3-trifluoropropyl)-5-bromopyridin-2(1H)-one
SpectraBase Compound ID 1RZWT5HStoj
InChI InChI=1S/C16H13BrF3NO2/c1-10(22)11-2-4-12(5-3-11)14(16(18,19)20)9-21-8-13(17)6-7-15(21)23/h2-8,14H,9H2,1H3
InChIKey CVKNNWKCIGNEKJ-UHFFFAOYSA-N
Mol Weight 388.18 g/mol
Molecular Formula C16H13BrF3NO2
Exact Mass 387.008176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ovSKUSoVs9
Name 1-(2-(4-Acetylphenyl)-3,3,3-trifluoropropyl)-5-bromopyridin-2(1H)-one
Appearance White solid
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Exact Mass 387.008176150 u
Formula C16H13BrF3NO2
InChI InChI=1S/C16H13BrF3NO2/c1-10(22)11-2-4-12(5-3-11)14(16(18,19)20)9-21-8-13(17)6-7-15(21)23/h2-8,14H,9H2,1H3
InChIKey CVKNNWKCIGNEKJ-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI positive ion
Literature Reference DOI 10.1002/asia.202300144
Molecular Weight 388.184 g/mol
Quality 970
Reported Formula C16H13BrF3NO2
SMILES C(CN1C=C(C=CC1=O)Br)(C1=CC=C(C=C1)C(=O)C)C(F)(F)F
SPLASH splash10-00bi-1901000000-7ef6a75726e602974f30
Source of Spectrum CAJ-18-SM67-3he (DOI: 10.1002/asia.202300144)
Wiley ID 1909835