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4-Amino-3-nitro-benzenesulfonic acid phenyl ester

View entire compound with spectra: 1 MS (GC)

4-Amino-3-nitro-benzenesulfonic acid phenyl ester
SpectraBase Compound ID AIjF6enzs3U
InChI InChI=1S/C12H10N2O5S/c13-11-7-6-10(8-12(11)14(15)16)20(17,18)19-9-4-2-1-3-5-9/h1-8H,13H2
InChIKey NEZIKMJTIOLUGU-UHFFFAOYSA-N
Mol Weight 294.28 g/mol
Molecular Formula C12H10N2O5S
Exact Mass 294.031043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ja6aCiSO5w
Name 4-Amino-3-nitro-benzenesulfonic acid phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O5S
InChI InChI=1S/C12H10N2O5S/c13-11-7-6-10(8-12(11)14(15)16)20(17,18)19-9-4-2-1-3-5-9/h1-8H,13H2
InChIKey NEZIKMJTIOLUGU-UHFFFAOYSA-N
Molecular Weight 294.281 g/mol
SMILES Nc1ccc(cc1N(=O)=O)S(Oc1ccccc1)(=O)=O
SPLASH splash10-0gbl-9010000000-82930091452975cb41e1
Source of Spectrum IC-840-0-0
Synonyms phenyl 4-amino-3-nitro-benzenesulfonate phenyl 4-azanyl-3-nitro-benzenesulfonate 4-Amino-3-nitrobenzenesulfonic acid phenyl ester
Wiley ID 1296735