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3-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-methylbenzoic acid
SpectraBase Compound ID 6zjtiRBtfud
InChI InChI=1S/C17H11ClFNO3S/c1-8-2-3-9(17(22)23)6-12(8)20-16(21)15-14(18)11-5-4-10(19)7-13(11)24-15/h2-7H,1H3,(H,20,21)(H,22,23)
InChIKey HQIXGKBYGCWFIF-UHFFFAOYSA-N
Mol Weight 363.79 g/mol
Molecular Formula C17H11ClFNO3S
Exact Mass 363.01322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7oSuBbmd49
Name 3-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-4-methylbenzoic 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/C17H11ClFNO3S/c1-8-2-3-9(17(22)23)6-12(8)20-16(21)15-14(18)11-5-4-10(19)7-13(11)24-15/h2-7H,1H3,(H,20,21)(H,22,23)
InChIKey HQIXGKBYGCWFIF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19257
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/9127746; Labnumber: U_AMK_AC/011405; UZI_ID: UZI-019264
Temperature 318 °C