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2-cyano-4,4-bis(diethoxyphosphoryl)-3-(2-thienyl)butyric acid ethyl ester
SpectraBase Compound ID Ln1rV6jQCTp
InChI InChI=1S/C19H31NO8P2S/c1-6-24-18(21)15(14-20)17(16-12-11-13-31-16)19(29(22,25-7-2)26-8-3)30(23,27-9-4)28-10-5/h11-13,15,17,19H,6-10H2,1-5H3
InChIKey IZARLDALZQARFE-UHFFFAOYSA-N
Mol Weight 495.46 g/mol
Molecular Formula C19H31NO8P2S
Exact Mass 495.124562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkQbEnJrE2P
Name 2-cyano-4,4-bis(diethoxyphosphoryl)-3-(2-thienyl)butyric acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO8P2S
InChI InChI=1S/C19H31NO8P2S/c1-6-24-18(21)15(14-20)17(16-12-11-13-31-16)19(29(22,25-7-2)26-8-3)30(23,27-9-4)28-10-5/h11-13,15,17,19H,6-10H2,1-5H3
InChIKey IZARLDALZQARFE-UHFFFAOYSA-N
Molecular Weight 495.464 g/mol
SMILES C(C(C(C(=O)OCC)C#N)c1sccc1)(P(=O)(OCC)OCC)P(=O)(OCC)OCC
SPLASH splash10-00lr-0008900000-b34b0920fb2e1b34872e
Source of Spectrum D1-2003-786-12
Synonyms 2-cyano-4,4-bis(diethoxyphosphoryl)-3-thiophen-2-ylbutanoic acid ethyl ester Ethyl 2-cyano-4,4-bis(diethoxyphosphoryl)-3-(2-thienyl)butanoate Ethyl 2-cyano-4,4-bis(diethoxyphosphoryl)-3-thiophen-2-yl-butanoate
Wiley ID 1548372