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

*Links on SpectraBase are not permalinks.
5-(4-bromophenyl)-2-(hexahydro-1H-azepin-1-ylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 9FxitK0eOPK
InChI InChI=1S/C20H22BrF3N4O/c21-14-7-5-13(6-8-14)15-11-17(20(22,23)24)28-18(25-15)12-16(26-28)19(29)27-9-3-1-2-4-10-27/h5-8,12,15,17,25H,1-4,9-11H2
InChIKey OVSXGELYDBKUFW-UHFFFAOYSA-N
Mol Weight 471.32 g/mol
Molecular Formula C20H22BrF3N4O
Exact Mass 470.092909 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 ACCWAUumTC5
Name 5-(4-bromophenyl)-2-(hexahydro-1H-azepin-1-ylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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/C20H22BrF3N4O/c21-14-7-5-13(6-8-14)15-11-17(20(22,23)24)28-18(25-15)12-16(26-28)19(29)27-9-3-1-2-4-10-27/h5-8,12,15,17,25H,1-4,9-11H2
InChIKey OVSXGELYDBKUFW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12042
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/9099972; UBI_ID: UBI-012045
Temperature 313 °C