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4,4,4-Trifluoro-3-(3-(methylthio)phenyl)butanenitrile
SpectraBase Compound ID 7Zy8oVU5LGw
InChI InChI=1S/C11H10F3NS/c1-16-9-4-2-3-8(7-9)10(5-6-15)11(12,13)14/h2-4,7,10H,5H2,1H3
InChIKey IMXUXFVZJVEFTN-UHFFFAOYSA-N
Mol Weight 245.26 g/mol
Molecular Formula C11H10F3NS
Exact Mass 245.048605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8YtvEUXpwh
Name 4,4,4-Trifluoro-3-(3-(methylthio)phenyl)butanenitrile
Appearance Yellow oil
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Formula C11H10F3NS
InChI InChI=1S/C11H10F3NS/c1-16-9-4-2-3-8(7-9)10(5-6-15)11(12,13)14/h2-4,7,10H,5H2,1H3
InChIKey IMXUXFVZJVEFTN-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 245.263 g/mol
Reported Formula C11H10F3NS
SMILES c1(cccc(C(CC#N)C(F)(F)F)c1)SC
SPLASH splash10-052b-0290000000-3319c1fd4b8f96eb58d9
Source of Spectrum A1-23-SM55-2p
Wiley ID 1870244