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6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID DibrzrE556z
InChI InChI=1S/C21H24N4O2S/c1-26-16-6-15(7-17(8-16)27-2)18-22-23-20-25(18)24-19(28-20)21-9-12-3-13(10-21)5-14(4-12)11-21/h6-8,12-14H,3-5,9-11H2,1-2H3/t12-,13+,14-,21-
InChIKey BPIURYNYNBEZPK-GCHHLULHSA-N
Mol Weight 396.51 g/mol
Molecular Formula C21H24N4O2S
Exact Mass 396.161997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9rrgVkar3hm
Name 6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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/C21H24N4O2S/c1-26-16-6-15(7-17(8-16)27-2)18-22-23-20-25(18)24-19(28-20)21-9-12-3-13(10-21)5-14(4-12)11-21/h6-8,12-14H,3-5,9-11H2,1-2H3/t12-,13+,14-,21-
InChIKey BPIURYNYNBEZPK-GCHHLULHSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35805
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: E94333; SBI_ID: SBI-035809
Temperature 308 °C