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Diethyl[cyano(4-cyano-5-ethoxy-7-methyl-5-oxido-5Hthieno[3,2-d][1,2]oxaphosphinin-2-yl)-methyl]phosphonate
SpectraBase Compound ID 4BYxgJga5Ca
InChI InChI=1S/C16H20N2O6P2S/c1-5-21-25(19,22-6-2)14(10-18)15-8-12-13(9-17)26(20,23-7-3)24-11(4)16(12)27-15/h8,14H,5-7H2,1-4H3
InChIKey ZMBPGMDEVARHIW-UHFFFAOYSA-N
Mol Weight 430.35 g/mol
Molecular Formula C16H20N2O6P2S
Exact Mass 430.051732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6d3JCqTmgV0
Name Diethyl[cyano(4-cyano-5-ethoxy-7-methyl-5-oxido-5Hthieno[3,2-d][1,2]oxaphosphinin-2-yl)-methyl]phosphonate
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Formula C16H20N2O6P2S
InChI InChI=1S/C16H20N2O6P2S/c1-5-21-25(19,22-6-2)14(10-18)15-8-12-13(9-17)26(20,23-7-3)24-11(4)16(12)27-15/h8,14H,5-7H2,1-4H3
InChIKey ZMBPGMDEVARHIW-UHFFFAOYSA-N
Molecular Weight 430.352 g/mol
SMILES C=1(P(OC(=C2SC(=CC12)C(P(=O)(OCC)OCC)C#N)C)(=O)OCC)C#N
SPLASH splash10-0f8i-2911100000-6b51570efc4df6ed1c96
Source of Spectrum F2-45-5222-13a
Synonyms 2-[cyano(diethoxyphosphoryl)methyl]-5-ethoxy-7-methyl-5-oxo-4-thieno[3,2-d]oxaphosphorincarbonitrile 2-[cyano(diethoxyphosphoryl)methyl]-5-ethoxy-7-methyl-5-oxothieno[3,2-d]oxaphosphinine-4-carbonitrile 2-[cyano(diethoxyphosphoryl)methyl]-5-ethoxy-7-methyl-5-oxo-thieno[3,2-d]oxaphosphinine-4-carbonitrile 2-[cyano(diethoxyphosphoryl)methyl]-5-ethoxy-7-methyl-5-oxidanylidene-thieno[3,2-d][1,2]oxaphosphinine-4-carbonitrile
Wiley ID 1703792