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p-Nitrophenyl Propiolate
SpectraBase Compound ID DSDvmcB0hAg
InChI InChI=1S/C9H5NO4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h1,3-6H
InChIKey LCWVSNGGGAEKPU-UHFFFAOYSA-N
Mol Weight 191.14 g/mol
Molecular Formula C9H5NO4
Exact Mass 191.021858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yGL2nA3mPz
Name p-Nitrophenyl Propiolate
Appearance Colorless crystalline solid
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Formula C9H5NO4
InChI InChI=1S/C9H5NO4/c1-2-9(11)14-8-5-3-7(4-6-8)10(12)13/h1,3-6H
InChIKey LCWVSNGGGAEKPU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02011
Molecular Weight 191.142 g/mol
Reported Formula C9H5NO4
SMILES c1cc(ccc1OC(=O)C#C)[N+](=O)[O-]
SPLASH splash10-006x-0900000000-02f4edf5296fb3adb2f7
Source of Spectrum JOC-86-188-78
Thin-Layer Chromatography Rf = 0.5 (diethyl ether/hexane, 1:4)
Wiley ID 1854954