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Methylthio-phosphatrane cation

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Methylthio-phosphatrane cation
SpectraBase Compound ID BP9CLZrZ9im
InChI InChI=1S/C7H15NO3PS/c1-13-12-8(2-5-9-12,3-6-10-12)4-7-11-12/h2-7H2,1H3/q+1
InChIKey UJKHNEHHXSMNBD-UHFFFAOYSA-N
Mol Weight 226.25 g/mol
Molecular Formula C7H17NO3PS
Exact Mass 226.066677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2LnKD7vZzH
Name Methylthio-phosphatrane cation
Comments BF4-SALT
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Formula C7H16NO3PS
InChI InChI=1S/C7H15NO3PS/c1-13-12-8(2-5-9-12,3-6-10-12)4-7-11-12/h2-7H2,1H3/q+1
InChIKey UJKHNEHHXSMNBD-UHFFFAOYSA-N
Literature Reference L.E. Carpenter, B. De Ruiter, D. Van Aken, J. Am. Chem. Soc. 108, 4918 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH3CN