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2-Allyl-5-nitro-benzoic acid ethyl ester
SpectraBase Compound ID DMHU3AblrZ7
InChI InChI=1S/C12H13NO4/c1-3-5-9-6-7-10(13(15)16)8-11(9)12(14)17-4-2/h3,6-8H,1,4-5H2,2H3
InChIKey WXOYWFSQIMJAAD-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSZENYiTbjj
Name 2-Allyl-5-nitro-benzoic acid ethyl ester
Alternate Name(s) 5-Nitro-2-prop-2-enylbenzoic acid ethyl ester Ethyl 5-nitro-2-prop-2-enyl-benzoate Ethyl 5-nitro-2-prop-2-enylbenzoate
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Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-3-5-9-6-7-10(13(15)16)8-11(9)12(14)17-4-2/h3,6-8H,1,4-5H2,2H3
InChIKey WXOYWFSQIMJAAD-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES C(c1c(ccc(c1)N(=O)=O)CC=C)(=O)OCC
SPLASH splash10-0006-0950000000-a835dd7c109d30608e52
Source of Spectrum F-70-2453-26
Wiley ID 1596594