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N-[3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1-(difluoromethyl)-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 7ejomljNVwZ
InChI InChI=1S/C18H22F2N4O2S/c1-18(2,3)9-4-5-10-12(8-9)27-16(13(10)14(21)25)23-15(26)11-6-7-22-24(11)17(19)20/h6-7,9,17H,4-5,8H2,1-3H3,(H2,21,25)(H,23,26)
InChIKey WCGNCCZBSDIXHO-UHFFFAOYSA-N
Mol Weight 396.46 g/mol
Molecular Formula C18H22F2N4O2S
Exact Mass 396.143153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WfbHyGu0WJ
Name N-[3-(aminocarbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-1-(difluoromethyl)-1H-pyrazole-5-carboxamide
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/C18H22F2N4O2S/c1-18(2,3)9-4-5-10-12(8-9)27-16(13(10)14(21)25)23-15(26)11-6-7-22-24(11)17(19)20/h6-7,9,17H,4-5,8H2,1-3H3,(H2,21,25)(H,23,26)
InChIKey WCGNCCZBSDIXHO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1033
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/1245114; Labnumber: AC-NHALL/0449741; UZI_ID: UZI-001035
Temperature 308 °C