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6-(4-methoxyphenyl)-3-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 52peX3BWpBd
InChI InChI=1S/C16H13N5OS/c1-22-13-4-2-11(3-5-13)14-10-23-16-19-18-15(21(16)20-14)12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKey SHTMRTXKDHPRFU-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C16H13N5OS
Exact Mass 323.084081 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7GYf4YttTyu
Name 6-(4-methoxyphenyl)-3-(4-pyridinyl)-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/C16H13N5OS/c1-22-13-4-2-11(3-5-13)14-10-23-16-19-18-15(21(16)20-14)12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKey SHTMRTXKDHPRFU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17237
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: D25780; Labnumber: UDSG-01239; SBI_ID: SBI-017240
Synonyms methyl 4-[3-(4-pyridinyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl ether
Temperature 308 °C