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N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

View entire compound with spectra: 1 NMR

N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 71V8XOuizaB
InChI InChI=1S/C29H23ClF3N5O2S2/c1-2-17-11-12-22(41-17)19-13-23(29(31,32)33)38-24(35-19)14-20(37-38)26(39)36-28-25(18-5-3-4-6-21(18)42-28)27(40)34-16-9-7-15(30)8-10-16/h7-14H,2-6H2,1H3,(H,34,40)(H,36,39)
InChIKey HXGWNKSQWKMXHC-UHFFFAOYSA-N
Mol Weight 630.1 g/mol
Molecular Formula C29H23ClF3N5O2S2
Exact Mass 629.09338 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HkR32mP3vMv
Name N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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/C29H23ClF3N5O2S2/c1-2-17-11-12-22(41-17)19-13-23(29(31,32)33)38-24(35-19)14-20(37-38)26(39)36-28-25(18-5-3-4-6-21(18)42-28)27(40)34-16-9-7-15(30)8-10-16/h7-14H,2-6H2,1H3,(H,34,40)(H,36,39)
InChIKey HXGWNKSQWKMXHC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6202
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/1025887; Labnumber: COL1074; UZI_ID: UZI-006204
Temperature 318 °C