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1-[bis(Ethoxyphosphonato)methyl]-1-(2"-thienyl)-2-dicyanoethane
SpectraBase Compound ID FyVtchLetAG
InChI InChI=1S/C17H26N2O6P2S/c1-5-22-26(20,23-6-2)17(27(21,24-7-3)25-8-4)16(14(12-18)13-19)15-10-9-11-28-15/h9-11,14,16-17H,5-8H2,1-4H3
InChIKey BAQCLYIQXIGDPF-UHFFFAOYSA-N
Mol Weight 448.41 g/mol
Molecular Formula C17H26N2O6P2S
Exact Mass 448.098682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHAM1mFM8ei
Name 1-[bis(Ethoxyphosphonato)methyl]-1-(2"-thienyl)-2-dicyanoethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O6P2S
InChI InChI=1S/C17H26N2O6P2S/c1-5-22-26(20,23-6-2)17(27(21,24-7-3)25-8-4)16(14(12-18)13-19)15-10-9-11-28-15/h9-11,14,16-17H,5-8H2,1-4H3
InChIKey BAQCLYIQXIGDPF-UHFFFAOYSA-N
Molecular Weight 448.411 g/mol
SMILES C(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)C(c1sccc1)C(C#N)C#N
SPLASH splash10-01w0-0209100000-61e776de7f7526bd2255
Source of Spectrum D1-2003-786-12
Synonyms 2-[2,2-bis(diethoxyphosphoryl)-1-thiophen-2-ylethyl]propanedinitrile 2-[2,2-bis(diethoxyphosphoryl)-1-(2-thienyl)ethyl]propanedinitrile 2-[2,2-bis(diethoxyphosphoryl)-1-thiophen-2-yl-ethyl]propanedinitrile
Wiley ID 1548371