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2-[3-(2H-tetraazol-2-yl)-1-adamantyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
SpectraBase Compound ID 6RJxVIVLnPn
InChI InChI=1S/C21H22N8S/c1-2-14-15(3-1)30-18-16(14)17-25-19(26-28(17)11-22-18)20-5-12-4-13(6-20)8-21(7-12,9-20)29-24-10-23-27-29/h10-13H,1-9H2/t12-,13+,20+,21-
InChIKey YLCBZEUBLFMIFF-NOKWSWOQSA-N
Mol Weight 418.52 g/mol
Molecular Formula C21H22N8S
Exact Mass 418.168814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5zZ0YMA4m44
Name 2-[3-(2H-tetraazol-2-yl)-1-adamantyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
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/C21H22N8S/c1-2-14-15(3-1)30-18-16(14)17-25-19(26-28(17)11-22-18)20-5-12-4-13(6-20)8-21(7-12,9-20)29-24-10-23-27-29/h10-13H,1-9H2/t12-,13+,20+,21-
InChIKey YLCBZEUBLFMIFF-NOKWSWOQSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10474
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: UZI/1268244; Labnumber: KMB0651; UZI_ID: UZI-010476
Temperature 313 °C