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2-Hydroxy-5-hydroxymethyl-5-methyl-1,3-dioxa-2-phospha-cyclohexane 2-thionate anion
SpectraBase Compound ID AFk2I3fUccp
InChI InChI=1S/C5H12O4PS/c1-5(2-6)3-8-10(7,11)9-4-5/h6-7,10H,2-4H2,1H3/q-1
InChIKey BREJDLLNJVGDDG-UHFFFAOYSA-N
Mol Weight 199.18 g/mol
Molecular Formula C5H12O4PS
Exact Mass 199.019392 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRhgvw7bATZ
Name 2-Hydroxy-5-hydroxymethyl-5-methyl-1,3-dioxa-2-phospha-cyclohexane 2-thionate anion
CAS Registry Number 103731-73-3#
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H12O4PS
InChI InChI=1S/C5H12O4PS/c1-5(2-6)3-8-10(7,11)9-4-5/h6-7,10H,2-4H2,1H3/q-1
InChIKey BREJDLLNJVGDDG-UHFFFAOYSA-N
Instrument Name Bruker WH-200
Literature Reference T. Fanni, K. Taira, D.G. Gorenstein, J. Am. Chem. Soc. 108, 6311 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6