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N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-carboxamide

View entire compound with spectra: 1 NMR

N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-carboxamide
SpectraBase Compound ID B9rMONsC2mT
InChI InChI=1S/C24H21F3N8OS/c1-3-13-4-5-15-16(10-28)22(37-19(15)8-13)32-21(36)17-6-7-35(33-17)23-30-18(14-11-29-34(2)12-14)9-20(31-23)24(25,26)27/h6-7,9,11-13H,3-5,8H2,1-2H3,(H,32,36)
InChIKey ZXVFBWYTJCCXSR-UHFFFAOYSA-N
Mol Weight 526.54 g/mol
Molecular Formula C24H21F3N8OS
Exact Mass 526.151113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1bg5TSzFAl3
Name N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-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/C24H21F3N8OS/c1-3-13-4-5-15-16(10-28)22(37-19(15)8-13)32-21(36)17-6-7-35(33-17)23-30-18(14-11-29-34(2)12-14)9-20(31-23)24(25,26)27/h6-7,9,11-13H,3-5,8H2,1-2H3,(H,32,36)
InChIKey ZXVFBWYTJCCXSR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32752
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: 1911500; SBI_ID: SBI-032756
Temperature 318 °C