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N-(1,1,1-Trifluoro-3-(N-phthalimidyl)propan-2-yl)toluenesulfonamide

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N-(1,1,1-Trifluoro-3-(N-phthalimidyl)propan-2-yl)toluenesulfonamide
SpectraBase Compound ID KF28LvuKTnK
InChI InChI=1S/C18H15F3N2O4S/c1-11-6-8-12(9-7-11)28(26,27)22-15(18(19,20)21)10-23-16(24)13-4-2-3-5-14(13)17(23)25/h2-9,15,22H,10H2,1H3
InChIKey LNNDAKIJWITUDB-UHFFFAOYSA-N
Mol Weight 412.38 g/mol
Molecular Formula C18H15F3N2O4S
Exact Mass 412.070463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3em8FRFlMzC
Name N-(1,1,1-Trifluoro-3-(N-phthalimidyl)propan-2-yl)toluenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 412.070462630 u
Formula C18H15F3N2O4S
InChI InChI=1S/C18H15F3N2O4S/c1-11-6-8-12(9-7-11)28(26,27)22-15(18(19,20)21)10-23-16(24)13-4-2-3-5-14(13)17(23)25/h2-9,15,22H,10H2,1H3
InChIKey LNNDAKIJWITUDB-UHFFFAOYSA-N
Molecular Weight 412.383 g/mol
SMILES C1(=CC=C(C=C1)S(=O)(=O)NC(C(F)(F)F)CN1C(=O)C2=C(C1=O)C=CC=C2)C