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isopropyl 2-({[3-(1,5-dimethyl-1H-pyrazol-4-yl)-5-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

isopropyl 2-({[3-(1,5-dimethyl-1H-pyrazol-4-yl)-5-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2yDnRrftktH
InChI InChI=1S/C21H24N4O4S/c1-11(2)28-21(27)18-13-7-5-6-8-17(13)30-20(18)23-19(26)16-9-15(24-29-16)14-10-22-25(4)12(14)3/h9-11H,5-8H2,1-4H3,(H,23,26)
InChIKey WZFKNFQLEWHHLI-UHFFFAOYSA-N
Mol Weight 428.51 g/mol
Molecular Formula C21H24N4O4S
Exact Mass 428.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ary6oychaBQ
Name isopropyl 2-({[3-(1,5-dimethyl-1H-pyrazol-4-yl)-5-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H24N4O4S/c1-11(2)28-21(27)18-13-7-5-6-8-17(13)30-20(18)23-19(26)16-9-15(24-29-16)14-10-22-25(4)12(14)3/h9-11H,5-8H2,1-4H3,(H,23,26)
InChIKey WZFKNFQLEWHHLI-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34057
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: 2038836; SBI_ID: SBI-034061
Temperature 297 °C