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benzoic acid, 2-[[2-[(2-fluorophenyl)amino]-2-oxoethyl]thio]-
SpectraBase Compound ID FmToCyR0GuI
InChI InChI=1S/C15H12FNO3S/c16-11-6-2-3-7-12(11)17-14(18)9-21-13-8-4-1-5-10(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey XOTPQGNCZGARQA-UHFFFAOYSA-N
Mol Weight 305.32 g/mol
Molecular Formula C15H12FNO3S
Exact Mass 305.052193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yLapCDKiSx
Name 2-[(2-Fluoro-phenylcarbamoyl)-methylsulfanyl]-benzoic acid
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Formula C15H12FNO3S
InChI InChI=1S/C15H12FNO3S/c16-11-6-2-3-7-12(11)17-14(18)9-21-13-8-4-1-5-10(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey XOTPQGNCZGARQA-UHFFFAOYSA-N
Molecular Weight 305.323 g/mol
SMILES OC(c1c(SCC(Nc2c(F)cccc2)=O)cccc1)=O
SPLASH splash10-03di-4900000000-8ae810f84bff6a277950
Synonyms 2-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanylbenzoic acid 2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid 2-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]benzoic acid 2-[[2-(2-fluoroanilino)-2-oxoethyl]thio]benzoic acid
Wiley ID 1463629