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4-[(3-chloro-4-fluoroanilino)sulfonyl]benzoic acid

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4-[(3-chloro-4-fluoroanilino)sulfonyl]benzoic acid
SpectraBase Compound ID LOCO2x9IFNI
InChI InChI=1S/C13H9ClFNO4S/c14-11-7-9(3-6-12(11)15)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKey JDFHYYYUCRUEPX-UHFFFAOYSA-N
Mol Weight 329.73 g/mol
Molecular Formula C13H9ClFNO4S
Exact Mass 328.992485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9GYZGAZrMXK
Name 4-[(3-chloro-4-fluoroanilino)sulfonyl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C13H9ClFNO4S/c14-11-7-9(3-6-12(11)15)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKey JDFHYYYUCRUEPX-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27233
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D75694; Labnumber: BAUL-1584; SBI_ID: SBI-027237
Temperature 306 °C