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Ethyl 3-[(p-tolylsulfonyl)amino]-2-[p-(trifluoromethyl)phenyl]propanoate
SpectraBase Compound ID 7BBlZoXaWjE
InChI InChI=1S/C19H20F3NO4S/c1-3-27-18(24)17(14-6-8-15(9-7-14)19(20,21)22)12-23-28(25,26)16-10-4-13(2)5-11-16/h4-11,17,23H,3,12H2,1-2H3
InChIKey JXMUDXXLPXRCGH-UHFFFAOYSA-N
Mol Weight 415.43 g/mol
Molecular Formula C19H20F3NO4S
Exact Mass 415.106514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAxPJI5PUS4
Name Ethyl 3-[(p-tolylsulfonyl)amino]-2-[p-(trifluoromethyl)phenyl]propanoate
Alternate Name(s) ethyl 3-{[(4-methylphenyl)sulfonyl]amino}-2-[4-(trifluoromethyl)phenyl]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H20F3NO4S
InChI InChI=1S/C19H20F3NO4S/c1-3-27-18(24)17(14-6-8-15(9-7-14)19(20,21)22)12-23-28(25,26)16-10-4-13(2)5-11-16/h4-11,17,23H,3,12H2,1-2H3
InChIKey JXMUDXXLPXRCGH-UHFFFAOYSA-N
Molecular Weight 415.427 g/mol
SMILES N(CC(C(=O)OCC)c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-001i-0900000000-0839b3da8c184e2d214a
Source of Spectrum D1-2002-151-3
Wiley ID 1548018