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3-methyl-1-{[3-(2H-tetraazol-2-yl)-1-adamantyl]acetyl}-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID L9uJnAzDq4C
InChI InChI=1S/C18H23F3N6O2/c1-11-3-17(29,18(19,20)21)26(24-11)14(28)8-15-4-12-2-13(5-15)7-16(6-12,9-15)27-23-10-22-25-27/h10,12-13,29H,2-9H2,1H3/t12-,13+,15-,16-,17?
InChIKey FBBZKNYMJIIHCX-IUFSHZPVSA-N
Mol Weight 412.42 g/mol
Molecular Formula C18H23F3N6O2
Exact Mass 412.183458 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3eubzsCMuRZ
Name 3-methyl-1-{[3-(2H-tetraazol-2-yl)-1-adamantyl]acetyl}-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
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/C18H23F3N6O2/c1-11-3-17(29,18(19,20)21)26(24-11)14(28)8-15-4-12-2-13(5-15)7-16(6-12,9-15)27-23-10-22-25-27/h10,12-13,29H,2-9H2,1H3/t12-,13+,15-,16-,17?
InChIKey FBBZKNYMJIIHCX-IUFSHZPVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18497
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/1028042; Labnumber: TYD0373; UZI_ID: UZI-018504
Temperature 308 °C