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3-Cyano-4-thiomethyl-6-(4'-fluorophenyl)-2H-pyran-2-one
SpectraBase Compound ID CkveZ6rpCDp
InChI InChI=1S/C13H8FNO2S/c14-10-3-1-8(2-4-10)12-5-9(7-18)11(6-15)13(16)17-12/h1-5,18H,7H2
InChIKey AKFVJXVTKXICHS-UHFFFAOYSA-N
Mol Weight 261.27 g/mol
Molecular Formula C13H8FNO2S
Exact Mass 261.025978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GzGge6TEBm
Name 3-Cyano-4-thiomethyl-6-(4'-fluorophenyl)-2H-pyran-2-one
Alternate Name(s) 6-(4-fluorophenyl)-2-oxo-4-(sulfanylmethyl)-2H-pyran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8FNO2S
InChI InChI=1S/C13H8FNO2S/c14-10-3-1-8(2-4-10)12-5-9(7-18)11(6-15)13(16)17-12/h1-5,18H,7H2
InChIKey AKFVJXVTKXICHS-UHFFFAOYSA-N
Molecular Weight 261.270 g/mol
SMILES SCC1=C(C(OC(=C1)c1ccc(cc1)F)=O)C#N
SPLASH splash10-0231-4790000000-8199a4797e0892c6ff4c
Source of Spectrum Y1-36-874-2
Wiley ID 1527151