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methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]propanoate
SpectraBase Compound ID 5WtPsg4MiNU
InChI InChI=1S/C13H11F4N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-9-7(14)4-3-5-8(9)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)
InChIKey FLZVVXPKOSHKAY-UHFFFAOYSA-N
Mol Weight 365.3 g/mol
Molecular Formula C13H11F4N3O3S
Exact Mass 365.045725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpLv2fNnmgP
Name methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]propanoate
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/C13H11F4N3O3S/c1-6(21)19-12(10(22)23-2,13(15,16)17)20-11-18-9-7(14)4-3-5-8(9)24-11/h3-5H,1-2H3,(H,18,20)(H,19,21)
InChIKey FLZVVXPKOSHKAY-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_426
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: C27130; Labnumber: SOK-1047; SBI_ID: SBI-000428
Temperature 308 °C