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3-isothiazolecarboxamide, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-fluorophenyl)-
SpectraBase Compound ID 5qw6vEk9Fdp
InChI InChI=1S/C18H14FN3O3S/c19-12-2-4-13(5-3-12)21-18(23)17-14(9-26-22-17)20-8-11-1-6-15-16(7-11)25-10-24-15/h1-7,9,20H,8,10H2,(H,21,23)
InChIKey LFCZGKMTJOZORL-UHFFFAOYSA-N
Mol Weight 371.39 g/mol
Molecular Formula C18H14FN3O3S
Exact Mass 371.073991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B17JUEJl8tc
Name 3-isothiazolecarboxamide, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-fluorophenyl)-
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/C18H14FN3O3S/c19-12-2-4-13(5-3-12)21-18(23)17-14(9-26-22-17)20-8-11-1-6-15-16(7-11)25-10-24-15/h1-7,9,20H,8,10H2,(H,21,23)
InChIKey LFCZGKMTJOZORL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6441
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: NMR/18251494; Labnumber: L17-0000031