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Dimethyl 2-(3,3,3-trifluoro-2-(toluenesulfonylamino)propyl) malonate
SpectraBase Compound ID 2jpWa1AjU2
InChI InChI=1S/C15H18F3NO6S/c1-9-4-6-10(7-5-9)26(22,23)19-12(15(16,17)18)8-11(13(20)24-2)14(21)25-3/h4-7,11-12,19H,8H2,1-3H3
InChIKey ZQKKOCLAMHWLFH-UHFFFAOYSA-N
Mol Weight 397.37 g/mol
Molecular Formula C15H18F3NO6S
Exact Mass 397.080693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qeEuNUDgIy
Name Dimethyl 2-(3,3,3-trifluoro-2-(toluenesulfonylamino)propyl) malonate
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Formula C15H18F3NO6S
InChI InChI=1S/C15H18F3NO6S/c1-9-4-6-10(7-5-9)26(22,23)19-12(15(16,17)18)8-11(13(20)24-2)14(21)25-3/h4-7,11-12,19H,8H2,1-3H3
InChIKey ZQKKOCLAMHWLFH-UHFFFAOYSA-N
Molecular Weight 397.365 g/mol
SMILES N(S(=O)(=O)c1ccc(cc1)C)C(CC(C(=O)OC)C(=O)OC)C(F)(F)F
SPLASH splash10-0006-8960000000-3d9e41e294fb3746af05
Source of Spectrum Yui Takehiro, et al. Tetrahedron, V.69, 2013, P.7448-7454
Synonyms Dimethyl 2-(3,3,3-trifluoro-2-((4-methylphenyl)sulfonamido)propyl)malonate
Wiley ID 1817226