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5-(5-chloro-2-thienyl)-2-(hexahydro-1H-azepin-1-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 7CZYsPNh7b6
InChI InChI=1S/C18H16ClF3N4OS/c19-15-6-5-13(28-15)11-9-14(18(20,21)22)26-16(23-11)10-12(24-26)17(27)25-7-3-1-2-4-8-25/h5-6,9-10H,1-4,7-8H2
InChIKey YIUUENPBOSLOTG-UHFFFAOYSA-N
Mol Weight 428.86 g/mol
Molecular Formula C18H16ClF3N4OS
Exact Mass 428.068545 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHt1XxUyyj7
Name 5-(5-chloro-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/C18H16ClF3N4OS/c19-15-6-5-13(28-15)11-9-14(18(20,21)22)26-16(23-11)10-12(24-26)17(27)25-7-3-1-2-4-8-25/h5-6,9-10H,1-4,7-8H2
InChIKey YIUUENPBOSLOTG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6221
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/1025885; Labnumber: COL1104; UZI_ID: UZI-006223
Temperature 318 °C