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2,5-DIMETHYL-1-PHENYL-1-THIOXOPHOSPHORINAN-4-ONE (ISOMER 1)
SpectraBase Compound ID E7hHmfIcrbL
InChI InChI=1S/C13H17OPS/c1-10-9-15(16,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+,15-/m0/s1
InChIKey MPQTVCPUTGUIMJ-RWSFTLGLSA-N
Mol Weight 252.31 g/mol
Molecular Formula C13H17OPS
Exact Mass 252.073773 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ieiylSCgvY
Name 2,5-DIMETHYL-1-PHENYL-1-THIOXOPHOSPHORINAN-4-ONE (ISOMER 1)
Comments , STEREO DESCRIPTORS ARE RELATIVE. DIOXANE:ETHANOL=1:1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17OPS
InChI InChI=1S/C13H17OPS/c1-10-9-15(16,11(2)8-13(10)14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11+,15-/m0/s1
InChIKey MPQTVCPUTGUIMJ-RWSFTLGLSA-N
Instrument Name Bruker WP-80
Literature Reference YU.G.BOSYAKOV, G.P.REVENKO, N.YU.KUZ'MINA, A.P.LOGUNOV (1991)Zhurn.Obsch.Khim.(Russ. Lang.): v.61, N4, 864-868.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C4H8O2/C2H5OH