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2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethyl L-N-(tert-Butoxycarbonyl)alaninate
SpectraBase Compound ID Hcz5v4IExCP
InChI InChI=1S/C18H21F6NO6S/c1-10(25-15(27)31-16(2,3)4)14(26)30-5-6-32(28,29)13-8-11(17(19,20)21)7-12(9-13)18(22,23)24/h7-10H,5-6H2,1-4H3,(H,25,27)/t10-/m0/s1
InChIKey FIHRWJGDCZJPHP-JTQLQIEISA-N
Mol Weight 493.42 g/mol
Molecular Formula C18H21F6NO6S
Exact Mass 493.099378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pwkH9qOgQU
Name 2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethyl L-N-(tert-Butoxycarbonyl)alaninate
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Formula C18H21F6NO6S
InChI InChI=1S/C18H21F6NO6S/c1-10(25-15(27)31-16(2,3)4)14(26)30-5-6-32(28,29)13-8-11(17(19,20)21)7-12(9-13)18(22,23)24/h7-10H,5-6H2,1-4H3,(H,25,27)/t10-/m0/s1
InChIKey FIHRWJGDCZJPHP-JTQLQIEISA-N
Molecular Weight 493.417 g/mol
SMILES N([C@](C(=O)OCCS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)[H])C(=O)OC(C)(C)C
SPLASH splash10-03di-2090000000-136464a739309997e5e3
Source of Spectrum CV-2003-285-4
Synonyms 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}ethyl (2S)-2-[(tert-butoxycarbonyl)amino]propanoate
Wiley ID 1610770