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3-(dimethylamino)thioacrylimic acid, (6-fluoro-1,3-benzodioxan-3-yl)methyl ester, monohydrochloride
SpectraBase Compound ID 2xHe82cALOM
InChI InChI=1S/C14H17FN2O2S.ClH/c1-17(2)4-3-13(16)20-8-11-6-12(15)5-10-7-18-9-19-14(10)11;/h3-6,16H,7-9H2,1-2H3;1H
InChIKey NTPCUGHWXIFKOI-UHFFFAOYSA-N
Mol Weight 332.82 g/mol
Molecular Formula C14H18ClFN2O2S
Exact Mass 332.076155 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 781Oj2F4Dvg
Name 3-(dimethylamino)thioacrylimic acid, (6-fluoro-1,3-benzodioxan-3-yl)methyl ester, monohydrochloride
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Formula C14H18ClFN2O2S
InChI InChI=1S/C14H17FN2O2S.ClH/c1-17(2)4-3-13(16)20-8-11-6-12(15)5-10-7-18-9-19-14(10)11;/h3-6,16H,7-9H2,1-2H3;1H
InChIKey NTPCUGHWXIFKOI-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56900M
Solvent Polysol