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(E)-2-Benzyl-3-methylthio-3,3-difluoro-1-(4-nitrophenyl)propene
SpectraBase Compound ID KmobnGP9lwB
InChI InChI=1S/C17H15F2NO2S/c1-23-17(18,19)15(11-13-5-3-2-4-6-13)12-14-7-9-16(10-8-14)20(21)22/h2-10,12H,11H2,1H3/b15-12+
InChIKey RXRJNABASNEUCN-NTCAYCPXSA-N
Mol Weight 335.37 g/mol
Molecular Formula C17H15F2NO2S
Exact Mass 335.079156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26akXA18am
Name (E)-2-Benzyl-3-methylthio-3,3-difluoro-1-(4-nitrophenyl)propene
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Formula C17H15F2NO2S
InChI InChI=1S/C17H15F2NO2S/c1-23-17(18,19)15(11-13-5-3-2-4-6-13)12-14-7-9-16(10-8-14)20(21)22/h2-10,12H,11H2,1H3/b15-12+
InChIKey RXRJNABASNEUCN-NTCAYCPXSA-N
Molecular Weight 335.369 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\(C(SC)(F)F)Cc2ccccc2)cc1
SPLASH splash10-002o-3890000000-02669d28905b7003cd86
Source of Spectrum AJ-72-818-15
Synonyms (2E)-2-benzyl-1,1-difluoro-3-(4-nitrophenyl)-2-propenyl methyl sulfide (E)-2-Benzyl-3-ethylthio-3,3-difluoro-1-(4-nitrophenyl)propene 1-[(1E)-2-benzyl-3,3-difluoro-3-(methylsulfanyl)-1-propenyl]-4-nitrobenzene
Wiley ID 774965