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4H-pyrimido[2,1-b]benzothiazol-4-one, 6,7,8,9-tetrahydro-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]-
SpectraBase Compound ID CQ4LXqqtS8K
InChI InChI=1S/C22H21F3N4O2S/c23-22(24,25)14-4-3-5-15(12-14)27-8-10-28(11-9-27)19(30)16-13-26-21-29(20(16)31)17-6-1-2-7-18(17)32-21/h3-5,12-13H,1-2,6-11H2
InChIKey OHAYBOOSUFJPKQ-UHFFFAOYSA-N
Mol Weight 462.49 g/mol
Molecular Formula C22H21F3N4O2S
Exact Mass 462.133732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ZAisgMyt79
Name 4H-pyrimido[2,1-b]benzothiazol-4-one, 6,7,8,9-tetrahydro-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]-
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/C22H21F3N4O2S/c23-22(24,25)14-4-3-5-15(12-14)27-8-10-28(11-9-27)19(30)16-13-26-21-29(20(16)31)17-6-1-2-7-18(17)32-21/h3-5,12-13H,1-2,6-11H2
InChIKey OHAYBOOSUFJPKQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10116
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: F36706; Labnumber: SPYAK1-21217