For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 1mI4twO4BIc
InChI InChI=1S/C26H28F3N5OS/c27-26(28,29)22-13-19(21-2-1-7-36-21)30-23-14-20(31-34(22)23)25(35)33-5-3-32(4-6-33)24-17-9-15-8-16(11-17)12-18(24)10-15/h1-2,7,13-18,24H,3-6,8-12H2/t15-,16+,17-,18+,24?
InChIKey KRKURUFUWVQXGD-UHFSTWJJSA-N
Mol Weight 515.6 g/mol
Molecular Formula C26H28F3N5OS
Exact Mass 515.196666 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A1m9pH2JkbG
Name 2-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]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/C26H28F3N5OS/c27-26(28,29)22-13-19(21-2-1-7-36-21)30-23-14-20(31-34(22)23)25(35)33-5-3-32(4-6-33)24-17-9-15-8-16(11-17)12-18(24)10-15/h1-2,7,13-18,24H,3-6,8-12H2/t15-,16+,17-,18+,24?
InChIKey KRKURUFUWVQXGD-UHFSTWJJSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9703
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/9317972; Labnumber: IDVB8; UZI_ID: UZI-009705
Temperature 308 °C