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3,5-bis(diethoxyphosphorylmethyl)benzonitrile
SpectraBase Compound ID 9jUFTNqUwKe
InChI InChI=1S/C17H27NO6P2/c1-5-21-25(19,22-6-2)13-16-9-15(12-18)10-17(11-16)14-26(20,23-7-3)24-8-4/h9-11H,5-8,13-14H2,1-4H3
InChIKey UVWWANSCFALULO-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C17H27NO6P2
Exact Mass 403.131362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vK4RrqNbPV
Name 3,5-bis(diethoxyphosphorylmethyl)benzonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO6P2
InChI InChI=1S/C17H27NO6P2/c1-5-21-25(19,22-6-2)13-16-9-15(12-18)10-17(11-16)14-26(20,23-7-3)24-8-4/h9-11H,5-8,13-14H2,1-4H3
InChIKey UVWWANSCFALULO-UHFFFAOYSA-N
Instrument Name Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/chem.201805606
Molecular Weight 403.352 g/mol
SMILES c1(cc(cc(c1)CP(=O)(OCC)OCC)CP(=O)(OCC)OCC)C#N
SPLASH splash10-00kb-0950200000-f6f33a5f4140a1fe979f
Source of Spectrum QE-25-SM5-3
Wiley ID 1848387