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[5-Chloro-2-(4-nitro-phenylethynyl)-phenyl]-phosphonic Acid Diethyl Ester
SpectraBase Compound ID LhRjsXXWrBM
InChI InChI=1S/C18H17ClNO5P/c1-3-24-26(23,25-4-2)18-13-16(19)10-9-15(18)8-5-14-6-11-17(12-7-14)20(21)22/h6-7,9-13H,3-4H2,1-2H3
InChIKey JCTZAEDQVSTOGB-UHFFFAOYSA-N
Mol Weight 393.76 g/mol
Molecular Formula C18H17ClNO5P
Exact Mass 393.053287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBrj2hKDZOJ
Name [5-Chloro-2-(4-nitro-phenylethynyl)-phenyl]-phosphonic Acid Diethyl Ester
Alternate Name(s) Diethyl (5-chloro-2-((4-nitrophenyl)ethynyl)phenyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClNO5P
InChI InChI=1S/C18H17ClNO5P/c1-3-24-26(23,25-4-2)18-13-16(19)10-9-15(18)8-5-14-6-11-17(12-7-14)20(21)22/h6-7,9-13H,3-4H2,1-2H3
InChIKey JCTZAEDQVSTOGB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20156
Molecular Weight 393.763 g/mol
SMILES c1c(cc(P(=O)(OCC)OCC)c(C#Cc2ccc(cc2)[N+](=O)[O-])c1)Cl
SPLASH splash10-0006-0119000000-58166820c1df64caf75f
Source of Spectrum HAC-16-533-3g
Wiley ID 1783576