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1,2-Isopropylidenglycero-3-(o-beta-hydroxyethyl)thionophosphate,methyltriethylammonium salt

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1,2-Isopropylidenglycero-3-(o-beta-hydroxyethyl)thionophosphate,methyltriethylammonium salt
SpectraBase Compound ID 6QlVVDXQAfV
InChI InChI=1S/C8H17O6PS.C7H18N/c1-8(2)11-5-7(14-8)6-13-15(10,16)12-4-3-9;1-5-8(4,6-2)7-3/h7,9H,3-6H2,1-2H3,(H,10,16);5-7H2,1-4H3/q;+1/p-1
InChIKey JLGIQAQFLHHFNG-UHFFFAOYSA-M
Mol Weight 387.47 g/mol
Molecular Formula C15H34NO6PS
Exact Mass 387.184446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JB95LcHwpgg
Name 1,2-Isopropylidenglycero-3-(o-beta-hydroxyethyl)thionophosphate,methyltriethylammonium salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.184445985 u
Formula C15H34NO6PS
InChI InChI=1S/C8H17O6PS.C7H18N/c1-8(2)11-5-7(14-8)6-13-15(10,16)12-4-3-9;1-5-8(4,6-2)7-3/h7,9H,3-6H2,1-2H3,(H,10,16);5-7H2,1-4H3/q;+1/p-1
InChIKey JLGIQAQFLHHFNG-UHFFFAOYSA-M
Molecular Weight 387.472 g/mol
SMILES C[N+](CC)(CC)CC.OCCOP(OCC1COC(O1)(C)C)(=S)[O-]