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5-(5-ethyl-2-thienyl)-2-(hexahydro-1H-azepin-1-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID EixkOKGENsi
InChI InChI=1S/C20H21F3N4OS/c1-2-13-7-8-16(29-13)14-11-17(20(21,22)23)27-18(24-14)12-15(25-27)19(28)26-9-5-3-4-6-10-26/h7-8,11-12H,2-6,9-10H2,1H3
InChIKey BUJIPHJUYNHEGH-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C20H21F3N4OS
Exact Mass 422.138817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ExYISwtz21
Name 5-(5-ethyl-2-thienyl)-2-(hexahydro-1H-azepin-1-ylcarbonyl)-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/C20H21F3N4OS/c1-2-13-7-8-16(29-13)14-11-17(20(21,22)23)27-18(24-14)12-15(25-27)19(28)26-9-5-3-4-6-10-26/h7-8,11-12H,2-6,9-10H2,1H3
InChIKey BUJIPHJUYNHEGH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6210
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/1025160; Labnumber: COL1083; UZI_ID: UZI-006212
Temperature 318 °C