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3-(3-octyl-2-thioureido)propionic acid
SpectraBase Compound ID 3D7GhBh5r7k
InChI InChI=1S/C12H24N2O2S/c1-2-3-4-5-6-7-9-13-12(17)14-10-8-11(15)16/h2-10H2,1H3,(H,15,16)(H2,13,14,17)
InChIKey UHQPNIFUTKBWAX-UHFFFAOYSA-N
Mol Weight 260.4 g/mol
Molecular Formula C12H24N2O2S
Exact Mass 260.155849 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7d3GSQhN5jD
Name 3-(3-octyl-2-thioureido)propionic acid
Source of Sample A. C. Glasser, University of Kentucky, Lexington, Kentucky
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Formula C12H24N2O2S
InChI InChI=1S/C12H24N2O2S/c1-2-3-4-5-6-7-9-13-12(17)14-10-8-11(15)16/h2-10H2,1H3,(H,15,16)(H2,13,14,17)
InChIKey UHQPNIFUTKBWAX-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 4426M
Solvent DMSO-d6