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3,5-Dinitrobenzoicacidethyl ester

View entire compound with spectra: 1 NMR, 3 FTIR, 1 UV-Vis, and 3 MS (GC)

3,5-Dinitrobenzoicacidethyl ester
SpectraBase Compound ID 4OfUFdowunw
InChI InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3
InChIKey IBQREHJPMPCXQA-UHFFFAOYSA-N
Mol Weight 240.17 g/mol
Molecular Formula C9H8N2O6
Exact Mass 240.038236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AMPnt0WzJn
Name Ethyl 3,5-dinitrobenzoate
Alternate Name(s) 3,5-Dinitrobenzoic acid ethyl ester Benzoic acid, 3,5-dinitro-, ethyl ester
CAS Registry Number 618-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O6
InChI InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3
InChIKey IBQREHJPMPCXQA-UHFFFAOYSA-N
Molecular Weight 240.171 g/mol
SMILES c1(N(=O)=O)cc(cc(c1)N(=O)=O)C(=O)OCC
SPLASH splash10-002b-7910000000-6f322c3f39ee0f088515
Wiley ID 1482253