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4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl methyl ether
SpectraBase Compound ID 7e2jb31b7gL
InChI InChI=1S/C21H22N4OS/c1-21(2,3)16-9-5-15(6-10-16)19-22-23-20-25(19)24-18(13-27-20)14-7-11-17(26-4)12-8-14/h5-12H,13H2,1-4H3
InChIKey KQGQSFQCBXHWNP-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C21H22N4OS
Exact Mass 378.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CAtTFLF35ze
Name 4-[3-(4-tert-butylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl methyl ether
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/C21H22N4OS/c1-21(2,3)16-9-5-15(6-10-16)19-22-23-20-25(19)24-18(13-27-20)14-7-11-17(26-4)12-8-14/h5-12H,13H2,1-4H3
InChIKey KQGQSFQCBXHWNP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17184
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: D25719; Labnumber: UDSG-00791; SBI_ID: SBI-017187
Synonyms 3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Temperature 318 °C