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N,N"-Bis(diethoxyphosphoryl)-N'-tosyldiethylenetriamine

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N,N"-Bis(diethoxyphosphoryl)-N'-tosyldiethylenetriamine
SpectraBase Compound ID 6P78STHjTLy
InChI InChI=1S/C19H37N3O8P2S/c1-6-27-31(23,28-7-2)20-14-16-22(32(24,29-8-3)30-9-4)17-15-21-33(25,26)19-12-10-18(5)11-13-19/h10-13,21H,6-9,14-17H2,1-5H3,(H,20,23)
InChIKey FIMGSSMLAFAWLQ-UHFFFAOYSA-N
Mol Weight 529.5 g/mol
Molecular Formula C19H37N3O8P2S
Exact Mass 529.17766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ct5HqpMwzXb
Name N,N''-bis(Diethoxyphosphoryl)-N'-tosyldiethylenetriamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.177660325 u
Formula C19H37N3O8P2S
InChI InChI=1S/C19H37N3O8P2S/c1-6-27-31(23,28-7-2)20-14-16-22(32(24,29-8-3)30-9-4)17-15-21-33(25,26)19-12-10-18(5)11-13-19/h10-13,21H,6-9,14-17H2,1-5H3,(H,20,23)
InChIKey FIMGSSMLAFAWLQ-UHFFFAOYSA-N
Molecular Weight 529.526 g/mol
SMILES C=1(S(=O)(=O)NCCN(P(=O)(OCC)OCC)CCNP(=O)(OCC)OCC)C=CC(=CC1)C