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2-Amino-5-(4-fluoro-benzoyl)-4-(4-fluoro-phenyl)-4,5-dihydro-thiophene-3-carbonitrile
SpectraBase Compound ID DzyBHr7FGv6
InChI InChI=1S/C18H12F2N2OS/c19-12-5-1-10(2-6-12)15-14(9-21)18(22)24-17(15)16(23)11-3-7-13(20)8-4-11/h1-8,15,17H,22H2
InChIKey IKHOBPSQGRQRRT-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C18H12F2N2OS
Exact Mass 342.063841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cu4x2KodMSg
Name 2-Amino-5-(4-fluoro-benzoyl)-4-(4-fluoro-phenyl)-4,5-dihydro-thiophene-3-carbonitrile
Alternate Name(s) 5-Amino-2-(4-fluorobenzoyl)-3-(4-fluorophenyl)-2,3-dihydrothiophene-4-carbonitrile 5-Amino-3-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-2,3-dihydrothiophene-4-carbonitrile 5-Azanyl-3-(4-fluorophenyl)-2-(4-fluorophenyl)carbonyl-2,3-dihydrothiophene-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F2N2OS
InChI InChI=1S/C18H12F2N2OS/c19-12-5-1-10(2-6-12)15-14(9-21)18(22)24-17(15)16(23)11-3-7-13(20)8-4-11/h1-8,15,17H,22H2
InChIKey IKHOBPSQGRQRRT-UHFFFAOYSA-N
Molecular Weight 342.364 g/mol
SMILES NC1=C(C(C(C(c2ccc(cc2)F)=O)S1)c1ccc(cc1)F)C#N
SPLASH splash10-05fs-9813000000-92fc2b7ef4fecb391ea1
Wiley ID 1465781