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methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Jg9tTjrRChr
InChI InChI=1S/C22H24BrN3O4S/c1-11-5-7-15-17(9-11)31-21(18(15)22(28)29-4)24-20(27)16-8-6-14(30-16)10-26-13(3)19(23)12(2)25-26/h6,8,11H,5,7,9-10H2,1-4H3,(H,24,27)
InChIKey HLAJXPBCTXYXCM-UHFFFAOYSA-N
Mol Weight 506.42 g/mol
Molecular Formula C22H24BrN3O4S
Exact Mass 505.06709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LpoTFtFckc1
Name methyl 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-6-methyl-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/C22H24BrN3O4S/c1-11-5-7-15-17(9-11)31-21(18(15)22(28)29-4)24-20(27)16-8-6-14(30-16)10-26-13(3)19(23)12(2)25-26/h6,8,11H,5,7,9-10H2,1-4H3,(H,24,27)
InChIKey HLAJXPBCTXYXCM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5080
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/8145689; UBI_ID: UBI-005082
Temperature 308 °C