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7-Methanesulfonyl-2,2-bis-trifluoromethyl-2,3-dihydro-9-thia-1,3,4a-triaza-fluoren-4-one

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7-Methanesulfonyl-2,2-bis-trifluoromethyl-2,3-dihydro-9-thia-1,3,4a-triaza-fluoren-4-one
SpectraBase Compound ID FqvvJ9HyeMy
InChI InChI=1S/C12H7F6N3O3S2/c1-26(23,24)5-2-3-6-7(4-5)25-9-20-10(11(13,14)15,12(16,17)18)19-8(22)21(6)9/h2-4H,1H3,(H,19,22)
InChIKey VQLKRIPPBSUUQV-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C12H7F6N3O3S2
Exact Mass 418.983302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1SrOGOubBwY
Name 8-(methylsulfonyl)-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
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/C12H7F6N3O3S2/c1-26(23,24)5-2-3-6-7(4-5)25-9-20-10(11(13,14)15,12(16,17)18)19-8(22)21(6)9/h2-4H,1H3,(H,19,22)
InChIKey VQLKRIPPBSUUQV-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_467
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: C27181; Labnumber: SOK-1111; SBI_ID: SBI-000469
Temperature 308 °C