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2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]acetamide
SpectraBase Compound ID CZNkTSnOcUI
InChI InChI=1S/C21H25F3N4O3S/c22-21(23,24)19-13-18(15-5-6-15)28(26-19)14-20(29)25-16-7-9-17(10-8-16)32(30,31)27-11-3-1-2-4-12-27/h7-10,13,15H,1-6,11-12,14H2,(H,25,29)
InChIKey NXVHDUAYZIMCSE-UHFFFAOYSA-N
Mol Weight 470.51 g/mol
Molecular Formula C21H25F3N4O3S
Exact Mass 470.159946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HZuK435YJlm
Name 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]acetamide
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/C21H25F3N4O3S/c22-21(23,24)19-13-18(15-5-6-15)28(26-19)14-20(29)25-16-7-9-17(10-8-16)32(30,31)27-11-3-1-2-4-12-27/h7-10,13,15H,1-6,11-12,14H2,(H,25,29)
InChIKey NXVHDUAYZIMCSE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18545
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONITRIL
Source File Reference VendorID: UZI/1263078; Labnumber: UBI4462; UZI_ID: UZI-018552
Temperature 308 °C