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RAC-1-O-(6-AMINOHEXANOYL)-2,3-DIPHOSPHOGLYCEROL,TRIS(CYCLOHEXYLAMMONIUM SALT)
SpectraBase Compound ID 9vqtDV2saUL
InChI InChI=1S/C9H21NO10P2.3C6H13N/c10-5-3-1-2-4-9(11)18-6-8(20-22(15,16)17)7-19-21(12,13)14;3*7-6-4-2-1-3-5-6/h8H,1-7,10H2,(H2,12,13,14)(H2,15,16,17);3*6H,1-5,7H2
InChIKey XCCFKKUZDRMCSB-UHFFFAOYSA-N
Mol Weight 662.74 g/mol
Molecular Formula C27H60N4O10P2
Exact Mass 662.378468 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1unwJ4rDfIC
Name RAC-1-O-(6-AMINOHEXANOYL)-2,3-DIPHOSPHOGLYCEROL,TRIS(CYCLOHEXYLAMMONIUM SALT)
Comments , SCALE INVERTED! D2O:H2O=1:9 PH=7.05
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H60N4O10P2
InChI InChI=1S/C9H21NO10P2.3C6H13N/c10-5-3-1-2-4-9(11)18-6-8(20-22(15,16)17)7-19-21(12,13)14;3*7-6-4-2-1-3-5-6/h8H,1-7,10H2,(H2,12,13,14)(H2,15,16,17);3*6H,1-5,7H2
InChIKey XCCFKKUZDRMCSB-UHFFFAOYSA-N
Instrument Name Bruker WP-60
Literature Reference I.P.USHAKOVA, M.YU.TUVIN, G.A.SEREBRENNIKOVA, G.N.KOL'TSOVA, E.P.VYAZOVA,G.YA.ROZENBERG, R.P.EVSTIGNEEVA (1985) Bioorganich.Khim.(Russ. Lang.): v.11, N2,187-191.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O/H2O