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3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 9a4O64LjWKv
InChI InChI=1S/C20H19N5O2S/c1-20(2,3)15-8-4-14(5-9-15)18-21-22-19-24(18)23-17(12-28-19)13-6-10-16(11-7-13)25(26)27/h4-11H,12H2,1-3H3
InChIKey RPCMIVJSIQEICY-UHFFFAOYSA-N
Mol Weight 393.47 g/mol
Molecular Formula C20H19N5O2S
Exact Mass 393.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZbpjHuBjgM
Name 3-(4-tert-butylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C20H19N5O2S/c1-20(2,3)15-8-4-14(5-9-15)18-21-22-19-24(18)23-17(12-28-19)13-6-10-16(11-7-13)25(26)27/h4-11H,12H2,1-3H3
InChIKey RPCMIVJSIQEICY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26086
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: D61957; Labnumber: UDSG-00799; SBI_ID: SBI-026090
Temperature 315 °C