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Ethyl 4,4,4-trifluoro-3-[(R)-2'-hydroxy-1'-(methylsulfanylethyl)ethylamino]-but-2-enoate
SpectraBase Compound ID KbAsItsyeHs
InChI InChI=1S/C11H18F3NO3S/c1-3-18-10(17)6-9(11(12,13)14)15-8(7-16)4-5-19-2/h6,8,15-16H,3-5,7H2,1-2H3/b9-6-/t8-/m1/s1
InChIKey TWTURNQALXUCNR-WSQKDGNHSA-N
Mol Weight 301.32 g/mol
Molecular Formula C11H18F3NO3S
Exact Mass 301.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZ8STOrGAWL
Name Ethyl 4,4,4-trifluoro-3-[(R)-2'-hydroxy-1'-(methylsulfanylethyl)ethylamino]-but-2-enoate
Alternate Name(s) Ethyl (2Z)-4,4,4-trifluoro-3-{[(1R)-1-(hydroxymethyl)-3-(methylsulfanyl)propyl]amino}-2-butenoate Ethyl 4,4,4-trifluoro-3-[2'-hydroxy-1'-(methylsulfanylethyl)ethylamino]-but-2-enoate
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Formula C11H18F3NO3S
InChI InChI=1S/C11H18F3NO3S/c1-3-18-10(17)6-9(11(12,13)14)15-8(7-16)4-5-19-2/h6,8,15-16H,3-5,7H2,1-2H3/b9-6-/t8-/m1/s1
InChIKey TWTURNQALXUCNR-WSQKDGNHSA-N
Molecular Weight 301.324 g/mol
SMILES N(\C(=C/C(=O)OCC)C(F)(F)F)[C@@](CO)(CCSC)[H]
SPLASH splash10-03di-9010000000-0a661ff1fcf2bd6c615b
Source of Spectrum H-86-730-2
Wiley ID 1525326