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4-chloro-3-nitrobenzenesulfonic acid, phenyl ester

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4-chloro-3-nitrobenzenesulfonic acid, phenyl ester
SpectraBase Compound ID FAgjixWF4oM
InChI InChI=1S/C12H8ClNO5S/c13-11-7-6-10(8-12(11)14(15)16)20(17,18)19-9-4-2-1-3-5-9/h1-8H
InChIKey DXNLDBASBALMSX-UHFFFAOYSA-N
Mol Weight 313.71 g/mol
Molecular Formula C12H8ClNO5S
Exact Mass 312.981171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRtCCgP42gK
Name 4-CHLORO-3-NITROBENZENESULFONIC ACID, PHENYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClNO5S
InChI InChI=1S/C12H8ClNO5S/c13-11-7-6-10(8-12(11)14(15)16)20(17,18)19-9-4-2-1-3-5-9/h1-8H
InChIKey DXNLDBASBALMSX-UHFFFAOYSA-N
Melting Point 72C
Molecular Weight 313.72
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZENESULFONIC ACID, 4-CHLORO- 3-NITRO-, PHENYL ESTER