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3-(4-Nitro-phenoxysulfonyl)-benzoic acid 4-nitro-phenyl ester
SpectraBase Compound ID 3hze590jgfD
InChI InChI=1S/C19H12N2O9S/c22-19(29-16-8-4-14(5-9-16)20(23)24)13-2-1-3-18(12-13)31(27,28)30-17-10-6-15(7-11-17)21(25)26/h1-12H
InChIKey COCNECRQKDKZLF-UHFFFAOYSA-N
Mol Weight 444.37 g/mol
Molecular Formula C19H12N2O9S
Exact Mass 444.026351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUMxXWVgj5P
Name 3-(4-Nitro-phenoxysulfonyl)-benzoic acid 4-nitro-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12N2O9S
InChI InChI=1S/C19H12N2O9S/c22-19(29-16-8-4-14(5-9-16)20(23)24)13-2-1-3-18(12-13)31(27,28)30-17-10-6-15(7-11-17)21(25)26/h1-12H
InChIKey COCNECRQKDKZLF-UHFFFAOYSA-N
Molecular Weight 444.370 g/mol
SMILES c1cc(C(Oc2ccc(N(=O)=O)cc2)=O)cc(S(Oc2ccc(N(=O)=O)cc2)(=O)=O)c1
SPLASH splash10-0a4i-1109000000-0ae440d948e544bd8f3c
Synonyms (4-nitrophenyl) 3-(4-nitrophenoxy)sulfonylbenzoate
Wiley ID 1447283