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3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
SpectraBase Compound ID CE7rZNYp881
InChI InChI=1S/C9H4ClFO2S/c10-7-6-4(11)2-1-3-5(6)14-8(7)9(12)13/h1-3H,(H,12,13)
InChIKey RMXOFPIRXDWBGE-UHFFFAOYSA-N
Mol Weight 230.64 g/mol
Molecular Formula C9H4ClFO2S
Exact Mass 229.960456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EJKBavcQkni
Name 3-chloro-4-fluoro-1-benzothiophene-2-carboxylic 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/C9H4ClFO2S/c10-7-6-4(11)2-1-3-5(6)14-8(7)9(12)13/h1-3H,(H,12,13)
InChIKey RMXOFPIRXDWBGE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7051
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: UZI/1268424; Labnumber: COL4085; UZI_ID: UZI-007053
Temperature 318 °C