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[2-(4-Ethyl-phenylethynyl)-5-nitro-phenyl]-phosphonic Acid Diethyl Ester
SpectraBase Compound ID IYhzxjiGErl
InChI InChI=1S/C20H22NO5P/c1-4-16-7-9-17(10-8-16)11-12-18-13-14-19(21(22)23)15-20(18)27(24,25-5-2)26-6-3/h7-10,13-15H,4-6H2,1-3H3
InChIKey DPKBYJQIOUPWPA-UHFFFAOYSA-N
Mol Weight 387.37 g/mol
Molecular Formula C20H22NO5P
Exact Mass 387.12356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnrlNJAXaFo
Name [2-(4-Ethyl-phenylethynyl)-5-nitro-phenyl]-phosphonic Acid Diethyl Ester
Alternate Name(s) Diethyl (2-((4-ethylphenyl)ethynyl)-5-nitrophenyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22NO5P
InChI InChI=1S/C20H22NO5P/c1-4-16-7-9-17(10-8-16)11-12-18-13-14-19(21(22)23)15-20(18)27(24,25-5-2)26-6-3/h7-10,13-15H,4-6H2,1-3H3
InChIKey DPKBYJQIOUPWPA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20156
Molecular Weight 387.372 g/mol
SMILES c1c([N+](=O)[O-])cc(P(=O)(OCC)OCC)c(C#Cc2ccc(cc2)CC)c1
SPLASH splash10-000i-0309000000-cda99fa8b440295ad6f5
Source of Spectrum HAC-16-534-3l
Wiley ID 1783581