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(3E)-1-(2-fluorophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
SpectraBase Compound ID CvsLF9bF7a5
InChI InChI=1S/C12H9FN2OS/c13-10-5-1-2-6-11(10)15-7-3-4-9(8-14-16)12(15)17/h1-8,16H/b14-8+
InChIKey PMPXILQTEHCTHO-RIYZIHGNSA-N
Mol Weight 248.28 g/mol
Molecular Formula C12H9FN2OS
Exact Mass 248.041962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwIiJ2fvicU
Name (3E)-1-(2-fluorophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
Alternate Name(s) (3E)-1-(2-fluorophenyl)-2-thioxo-nicotinaldehyde oxime (3E)-1-(2-fluorophenyl)-2-thioxo-pyridine-3-carbaldehyde oxime 1-(2-fluorophenyl)-3-[(E)-hydroxyiminomethyl]pyridine-2-thione
CAS Registry Number 91540-39-5
Comments Less than 3 mono-isotopic peaks
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Formula C12H9FN2OS
InChI InChI=1S/C12H9FN2OS/c13-10-5-1-2-6-11(10)15-7-3-4-9(8-14-16)12(15)17/h1-8,16H/b14-8+
InChIKey PMPXILQTEHCTHO-RIYZIHGNSA-N
Molecular Weight 248.275 g/mol
SMILES O\N=C\C=1C(N(c2c(F)cccc2)C=CC1)=S
SPLASH splash10-001i-0090000000-d1a1421f044a9aec593a
Source of Spectrum Y-21-41-1
Wiley ID 1250720