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4-Iodo-3-nitroethylbenzoate
SpectraBase Compound ID JRjvH1yzcOg
InChI InChI=1S/C9H8INO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChIKey KWCKGPNDVFZONO-UHFFFAOYSA-N
Mol Weight 321.07 g/mol
Molecular Formula C9H8INO4
Exact Mass 320.949803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJN072vbBa1
Name 4-Iodo-3-nitroethylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8INO4
InChI InChI=1S/C9H8INO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChIKey KWCKGPNDVFZONO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol100220c
Molecular Weight 321.070 g/mol
SMILES c1cc(c(cc1C(OCC)=O)[N+](=O)[O-])I
SPLASH splash10-00bc-2193000000-6877e89ad52677b95cf0
Source of Spectrum A1-12-1696/SM10-arb1
Synonyms Ethyl 4-iodo-3-nitrobenzoate 4-Iodo-3-nitrobenzoic acid ethyl ester Ethyl 4-iodo-3-nitro-benzoate Ethyl 4-iodanyl-3-nitro-benzoate
Wiley ID 1751994