SpectraBase Spectrum ID |
A43jVXjfZnO |
Name |
1-{2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}hexahydro-1H-azepine |
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/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)19-21(9)10(2)13(22)20-7-5-3-4-6-8-20/h10H,3-8H2,1-2H3 |
InChIKey |
PGXUETIPJBHUBQ-UHFFFAOYSA-N |
NMR Offset |
15.3537 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UZI_26187_1342 |
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/1194397; Labnumber: AC-NHALL/1271470; UZI_ID: UZI-001344 |
Temperature |
308 °C |