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(2S,3R)-4,4,4-Trifluoro-2-isopropyl-3-(toluene-4-sulfonylamino)-butyric acid methyl ester
SpectraBase Compound ID 9t3zjltuCqb
InChI InChI=1S/C15H20F3NO4S/c1-9(2)12(14(20)23-4)13(15(16,17)18)19-24(21,22)11-7-5-10(3)6-8-11/h5-9,12-13,19H,1-4H3/t12-,13+/m0/s1
InChIKey ZQDYBAMCZXZUFQ-QWHCGFSZSA-N
Mol Weight 367.38 g/mol
Molecular Formula C15H20F3NO4S
Exact Mass 367.106514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tYLw2t11lv
Name (2S,3R)-4,4,4-Trifluoro-2-isopropyl-3-(toluene-4-sulfonylamino)-butyric acid methyl ester
Alternate Name(s) Methyl 4,4,4-trifluoro-2-isopropyl-3-(4-methylphenylsulfonamido)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20F3NO4S
InChI InChI=1S/C15H20F3NO4S/c1-9(2)12(14(20)23-4)13(15(16,17)18)19-24(21,22)11-7-5-10(3)6-8-11/h5-9,12-13,19H,1-4H3/t12-,13+/m0/s1
InChIKey ZQDYBAMCZXZUFQ-QWHCGFSZSA-N
Molecular Weight 367.383 g/mol
SMILES N([C@]([C@@](C(=O)OC)(C(C)C)[H])(C(F)(F)F)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-07vl-4921000000-ace11e261a2e61071a2f
Source of Spectrum F-67-3258-6d
Wiley ID 1686314