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N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioic acid S-(2,3-dihydrobenzofuran-2-ylmethyl) ester

View entire compound with spectra: 1 MS (GC)

N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioic acid S-(2,3-dihydrobenzofuran-2-ylmethyl) ester
SpectraBase Compound ID D2lKsPFHd7P
InChI InChI=1S/C16H10F11NO2S/c17-13(18,16(25,26)27)11(10(14(19,20)21)15(22,23)24)28-12(29)31-6-8-5-7-3-1-2-4-9(7)30-8/h1-4,8H,5-6H2,(H,28,29)
InChIKey GKRNSTCGSOJWRT-UHFFFAOYSA-N
Mol Weight 489.3 g/mol
Molecular Formula C16H10F11NO2S
Exact Mass 489.02566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjO5FpMp5J4
Name N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioic acid S-(2,3-dihydrobenzofuran-2-ylmethyl) ester
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Formula C16H10F11NO2S
InChI InChI=1S/C16H10F11NO2S/c17-13(18,16(25,26)27)11(10(14(19,20)21)15(22,23)24)28-12(29)31-6-8-5-7-3-1-2-4-9(7)30-8/h1-4,8H,5-6H2,(H,28,29)
InChIKey GKRNSTCGSOJWRT-UHFFFAOYSA-N
Molecular Weight 489.303 g/mol
SMILES N(C(C(C(F)(F)F)(F)F)=C(C(F)(F)F)C(F)(F)F)C(SCC1Oc2ccccc2C1)=O
SPLASH splash10-0a4i-6902000000-221f0414398777975e03
Synonyms N-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)prop-1-enyl]thiocarbamic acid S-(coumaran-2-ylmethyl) ester S-(2,3-dihydro-1-benzofuran-2-ylmethyl) N-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioate S-(2,3-dihydro-1-benzofuran-2-ylmethyl) N-[1,1,1,4,4,5,5,5-octakis(fluoranyl)-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioate S-(2,3-dihydrobenzofuran-2-ylmethyl) N-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)prop-1-enyl]carbamothioate
Wiley ID 1454350