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3A-(4-NITROPHENOXY)-3E-THIONO-2,4,7-TRIOXA-3-PHOSPHABICYCLO[4.4.0]DECANE
SpectraBase Compound ID H15IKBlLMzc
InChI InChI=1S/C12H14NO6PS/c14-13(15)9-3-5-10(6-4-9)18-20(21)17-8-12-11(19-20)2-1-7-16-12/h3-6,11-12H,1-2,7-8H2/t11-,12+,20-/m1/s1
InChIKey PJMBEUKCAZYBTA-XAAFQQQXSA-N
Mol Weight 331.28 g/mol
Molecular Formula C12H14NO6PS
Exact Mass 331.027945 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBVWA9JTq8P
Name 3A-(4-NITROPHENOXY)-3E-THIONO-2,4,7-TRIOXA-3-PHOSPHABICYCLO[4.4.0]DECANE
Comments , CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14NO6PS
InChI InChI=1S/C12H14NO6PS/c14-13(15)9-3-5-10(6-4-9)18-20(21)17-8-12-11(19-20)2-1-7-16-12/h3-6,11-12H,1-2,7-8H2/t11-,12+,20-/m1/s1
InChIKey PJMBEUKCAZYBTA-XAAFQQQXSA-N
Instrument Name Varian XL-100
Literature Reference D.BOUCHU (1983) Phosphorus and Sulfur: v.15, N1, 33-49.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d