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4-Imino-2-trifluoromethyl-4H-9-thia-1,4a-diaza-fluorene-3-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Imino-2-trifluoromethyl-4H-9-thia-1,4a-diaza-fluorene-3-carbonitrile
SpectraBase Compound ID 3V0yNF7Pv9I
InChI InChI=1S/C12H5F3N4S/c13-12(14,15)9-6(5-16)10(17)19-7-3-1-2-4-8(7)20-11(19)18-9/h1-4,17H
InChIKey JLUIYFYGEALSAT-UHFFFAOYSA-N
Mol Weight 294.26 g/mol
Molecular Formula C12H5F3N4S
Exact Mass 294.018702 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IB5GpbMhmGp
Name 4-imino-2-(trifluoromethyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
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/C12H5F3N4S/c13-12(14,15)9-6(5-16)10(17)19-7-3-1-2-4-8(7)20-11(19)18-9/h1-4,17H
InChIKey JLUIYFYGEALSAT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1319
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: C95981; Labnumber: AKSIN-0080; SBI_ID: SBI-001321
Temperature 315 °C