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

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methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IGfdpXkDLMa
InChI InChI=1S/C18H19BrF3N3O3S/c1-8-4-5-10-11(6-8)29-16(13(10)17(27)28-3)23-12(26)7-25-9(2)14(19)15(24-25)18(20,21)22/h8H,4-7H2,1-3H3,(H,23,26)
InChIKey BTTCSPXCOMRRKH-UHFFFAOYSA-N
Mol Weight 494.33 g/mol
Molecular Formula C18H19BrF3N3O3S
Exact Mass 493.02826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4L2FbPmFf73
Name methyl 2-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}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/C18H19BrF3N3O3S/c1-8-4-5-10-11(6-8)29-16(13(10)17(27)28-3)23-12(26)7-25-9(2)14(19)15(24-25)18(20,21)22/h8H,4-7H2,1-3H3,(H,23,26)
InChIKey BTTCSPXCOMRRKH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16287
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/8094563; UBI_ID: UBI-016290
Temperature 308 °C