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p-toluenesulfonic acid, m-nitrophenyl ester
SpectraBase Compound ID 5MvHMhcjs9G
InChI InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChIKey QRMMIQVSVATYQP-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 JRL0nH1j0Yv
Name (3-nitrophenyl) 4-methylbenzenesulfonate
CAS Registry Number 3899-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO5S
InChI InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3
InChIKey QRMMIQVSVATYQP-UHFFFAOYSA-N
Molecular Weight 293.293 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)cc(N(=O)=O)ccc1
SPLASH splash10-052f-9600000000-c3f353b16a56e919cc69
Source of Spectrum C-88-51-0
Synonyms 4-Methylbenzenesulfonic acid (3-nitrophenyl) ester p-Toluenesulfonic acid m-nitrophenyl ester
Wiley ID 1590055