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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 1 NMR

N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID KymNHHb2VRi
InChI InChI=1S/C24H23ClFN3O2S/c1-12-19(21(29-31-12)20-16(25)6-5-7-17(20)26)22(30)28-23-15(11-27)14-9-8-13(24(2,3)4)10-18(14)32-23/h5-7,13H,8-10H2,1-4H3,(H,28,30)
InChIKey GTHIXJCOZOXWCP-UHFFFAOYSA-N
Mol Weight 471.98 g/mol
Molecular Formula C24H23ClFN3O2S
Exact Mass 471.118354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39HPgH4xiNh
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide
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/C24H23ClFN3O2S/c1-12-19(21(29-31-12)20-16(25)6-5-7-17(20)26)22(30)28-23-15(11-27)14-9-8-13(24(2,3)4)10-18(14)32-23/h5-7,13H,8-10H2,1-4H3,(H,28,30)
InChIKey GTHIXJCOZOXWCP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18985
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/9133127; UBI_ID: UBI-018988
Temperature 318 °C