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Benzoic acid, 3-bromo-4-methyl-5-nitro-, 2-(3-nitrophenyl)-2-oxoethyl ester
SpectraBase Compound ID JO7jcao0Bck
InChI InChI=1S/C16H11BrN2O7/c1-9-13(17)6-11(7-14(9)19(24)25)16(21)26-8-15(20)10-3-2-4-12(5-10)18(22)23/h2-7H,8H2,1H3
InChIKey GZQUINFRHDPJBJ-UHFFFAOYSA-N
Mol Weight 423.18 g/mol
Molecular Formula C16H11BrN2O7
Exact Mass 421.974964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IB8wtvZdq0
Name Benzoic acid, 3-bromo-4-methyl-5-nitro-, 2-(3-nitrophenyl)-2-oxoethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11BrN2O7
InChI InChI=1S/C16H11BrN2O7/c1-9-13(17)6-11(7-14(9)19(24)25)16(21)26-8-15(20)10-3-2-4-12(5-10)18(22)23/h2-7H,8H2,1H3
InChIKey GZQUINFRHDPJBJ-UHFFFAOYSA-N
Molecular Weight 423.175 g/mol
SMILES c1cc(N(=O)=O)cc(C(COC(c2cc(N(=O)=O)c(c(Br)c2)C)=O)=O)c1
SPLASH splash10-0udi-7910000000-0c525e7300618e0d46bd
Source of Spectrum AD-0-2532-0
Synonyms 3-Bromo-4-methyl-5-nitrobenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester [2-(3-nitrophenyl)-2-oxoethyl] 3-bromo-4-methyl-5-nitrobenzoate [2-(3-nitrophenyl)-2-oxo-ethyl] 3-bromo-4-methyl-5-nitro-benzoate [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methyl-5-nitro-benzoate
Wiley ID 1430952