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3-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}benzoic acid
SpectraBase Compound ID BR2xk7EIL83
InChI InChI=1S/C16H9ClFNO3S/c17-13-11-5-4-9(18)7-12(11)23-14(13)15(20)19-10-3-1-2-8(6-10)16(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKey NRGMJHNCTQCDTC-UHFFFAOYSA-N
Mol Weight 349.76 g/mol
Molecular Formula C16H9ClFNO3S
Exact Mass 348.99757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8nDHrtDooop
Name 3-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}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/C16H9ClFNO3S/c17-13-11-5-4-9(18)7-12(11)23-14(13)15(20)19-10-3-1-2-8(6-10)16(21)22/h1-7H,(H,19,20)(H,21,22)
InChIKey NRGMJHNCTQCDTC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19159
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/9130654; Labnumber: U_AMK_AC/007890; UZI_ID: UZI-019166
Temperature 318 °C