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3-chloro-2-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

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3-chloro-2-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID DrXyAx3tcSQ
InChI InChI=1S/C18H20ClF3N4OS/c19-14-15(17(27)25-7-3-1-2-4-8-25)24-26-13(18(20,21)22)10-11(23-16(14)26)12-6-5-9-28-12/h5-6,9,11,13,23H,1-4,7-8,10H2
InChIKey UEKNBIZOGBAHQT-UHFFFAOYSA-N
Mol Weight 432.89 g/mol
Molecular Formula C18H20ClF3N4OS
Exact Mass 432.099845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GTxmB6p4QBq
Name 3-chloro-2-(hexahydro-1H-azepin-1-ylcarbonyl)-5-(2-thienyl)-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/C18H20ClF3N4OS/c19-14-15(17(27)25-7-3-1-2-4-8-25)24-26-13(18(20,21)22)10-11(23-16(14)26)12-6-5-9-28-12/h5-6,9,11,13,23H,1-4,7-8,10H2
InChIKey UEKNBIZOGBAHQT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9922
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/9065721; UBI_ID: UBI-009925
Temperature 318 °C