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3-(4-fluorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
SpectraBase Compound ID Hu2z9H3TO8J
InChI InChI=1S/C15H16FN3S/c16-11-3-1-9(2-4-11)12-14-13(18-15(20)17-12)10-5-7-19(14)8-6-10/h1-4,10,12H,5-8H2,(H2,17,18,20)
InChIKey SYWOYULYYTYSIU-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C15H16FN3S
Exact Mass 289.104897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IJsGGa7A8Do
Name 3-(4-fluorophenyl)-1,4,6-triazatricyclo[6.2.2.0~2,7~]dodec-2(7)-ene-5-thione
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/C15H16FN3S/c16-11-3-1-9(2-4-11)12-14-13(18-15(20)17-12)10-5-7-19(14)8-6-10/h1-4,10,12H,5-8H2,(H2,17,18,20)
InChIKey SYWOYULYYTYSIU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1127
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: ZI/7083563; Labnumber: BOS-mn00266; IOH_ID: IOH-001128
Temperature 303 °C