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2-NITROPHENYL-4-TOLUENESULFONATE
SpectraBase Compound ID KzX3pcmiBMu
InChI InChI=1S/C13H11NO5S/c1-10-6-8-11(9-7-10)20(17,18)19-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKey QTBPIGIEYBYSPR-UHFFFAOYSA-N
Mol Weight 293.29 g/mol
Molecular Formula C13H11NO5S
Exact Mass 293.035794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vUA49FqgIM
Name (2-nitrophenyl) 4-methylbenzenesulfonate
Alternate Name(s) 1-Benzenesulfonic acid, 4-methyl-,2-nitrophenyl ester 4-Methylbenzenesulfonic acid (2-nitrophenyl) ester
CAS Registry Number 1226-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO5S
InChI InChI=1S/C13H11NO5S/c1-10-6-8-11(9-7-10)20(17,18)19-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKey QTBPIGIEYBYSPR-UHFFFAOYSA-N
Molecular Weight 293.293 g/mol
SMILES c1cccc(c1N(=O)=O)OS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-052f-9500000000-8c093291028d01bd55d3
Wiley ID 1478209