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Ethyl 4,4,5,5,5-pentafluoro-3-[1'-(hydroxymethyl)-2'-(methylsulfanylpropyl)amino]-pent-2-enoate
SpectraBase Compound ID FrrgXif45rH
InChI InChI=1S/C12H18F5NO3S/c1-4-21-10(20)5-9(11(13,14)12(15,16)17)18-8(6-19)7(2)22-3/h5,7-8,18-19H,4,6H2,1-3H3/b9-5-
InChIKey IQQNVJXMRUUGHL-UITAMQMPSA-N
Mol Weight 351.33 g/mol
Molecular Formula C12H18F5NO3S
Exact Mass 351.092755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24Gd4qZXyCo
Name Ethyl 4,4,5,5,5-pentafluoro-3-[1'-(hydroxymethyl)-2'-(methylsulfanylpropyl)amino]-pent-2-enoate
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Formula C12H18F5NO3S
InChI InChI=1S/C12H18F5NO3S/c1-4-21-10(20)5-9(11(13,14)12(15,16)17)18-8(6-19)7(2)22-3/h5,7-8,18-19H,4,6H2,1-3H3/b9-5-
InChIKey IQQNVJXMRUUGHL-UITAMQMPSA-N
Molecular Weight 351.332 g/mol
SMILES N(\C(C(C(F)(F)F)(F)F)=C/C(=O)OCC)C(CO)C(SC)C
SPLASH splash10-022c-9110000000-d57a5f59940ed4093dcc
Source of Spectrum H-86-730-2
Synonyms Ethyl (2Z)-4,4,5,5,5-pentafluoro-3-{[1-(hydroxymethyl)-2-(methylsulfanyl)propyl]amino}-2-pentenoate
Wiley ID 1525323