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1-[PARA-N,N-DIETHYL-N-(3-SULPHOPROPYL)AMMONIOPHENYL]-1-OXO-3-METHYLPHOSPHOL-2-ENE, BETAINE
SpectraBase Compound ID EGunu6tX5bs
InChI InChI=1S/C18H28NO4PS/c1-4-19(5-2,12-6-14-25(21,22)23)17-7-9-18(10-8-17)24(20)13-11-16(3)15-24/h7-10,15H,4-6,11-14H2,1-3H3
InChIKey JZXIAZCXWCYGRU-UHFFFAOYSA-N
Mol Weight 385.46 g/mol
Molecular Formula C18H28NO4PS
Exact Mass 385.147667 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 89oZPVSn048
Name 1-[PARA-N,N-DIETHYL-N-(3-SULPHOPROPYL)AMMONIOPHENYL]-1-OXO-3-METHYLPHOSPHOL-2-ENE, BETAINE
Comments , NAME DEFINED (S.T.);WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H28NO4PS
InChI InChI=1S/C18H28NO4PS/c1-4-19(5-2,12-6-14-25(21,22)23)17-7-9-18(10-8-17)24(20)13-11-16(3)15-24/h7-10,15H,4-6,11-14H2,1-3H3
InChIKey JZXIAZCXWCYGRU-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.A.TOLMACHEV, S.P.IVONIN, A.V.KHARCHENKO, R.D.LAMPEKA, E.S.KOZLOV (1991)Zhurn.Obsch.Khim.(Russ. Lang.): v.61, N4, 852-859.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O water