| SpectraBase Spectrum ID |
CmPEYDVeAWp |
| Name |
1-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}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/C12H15ClF3N3O/c1-18-9(8(13)10(17-18)12(14,15)16)11(20)19-6-4-2-3-5-7-19/h2-7H2,1H3 |
| InChIKey |
KKQNEWQHZTXWIR-UHFFFAOYSA-N |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UZI_26187_1341 |
| 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/1098104; Labnumber: AC-NHALL/1271465; UZI_ID: UZI-001343 |
| Temperature |
308 °C |
![1-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}hexahydro-1H-azepine](/api/spectrum/CmPEYDVeAWp/structure.png?h=300&w=458 "1-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}hexahydro-1H-azepine")
