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5-[bis(2-chloroethyl)amino]resorcinol, trifluoroacetate (1:1) (solvate)
SpectraBase Compound ID AgDop4RGfIb
InChI InChI=1S/C10H13Cl2NO2.C2HF3O2/c11-1-3-13(4-2-12)8-5-9(14)7-10(15)6-8;3-2(4,5)1(6)7/h5-7,14-15H,1-4H2;(H,6,7)
InChIKey HEJHDCJORBQCDF-UHFFFAOYSA-N
Mol Weight 364.148 g/mol
Molecular Formula C12H14Cl2F3NO4
Exact Mass 363.025198 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByXvQvYx7Vf
Name 5-[bis(2-chloroethyl)amino]resorcinol, trifluoroacetate (1:1) (solvate)
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Formula C12H14Cl2F3NO4
InChI InChI=1S/C10H13Cl2NO2.C2HF3O2/c11-1-3-13(4-2-12)8-5-9(14)7-10(15)6-8;3-2(4,5)1(6)7/h5-7,14-15H,1-4H2;(H,6,7)
InChIKey HEJHDCJORBQCDF-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 25821M
Solvent Polysol-d