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methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2M9l9pOCiV8
InChI InChI=1S/C16H18BrN3O3S/c1-8-4-5-9-11(6-8)24-15(12(9)16(22)23-3)19-14(21)13-10(17)7-18-20(13)2/h7-8H,4-6H2,1-3H3,(H,19,21)
InChIKey NUHOYXRVCYPGPP-UHFFFAOYSA-N
Mol Weight 412.3 g/mol
Molecular Formula C16H18BrN3O3S
Exact Mass 411.025226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 746aCLrX20f
Name methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]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/C16H18BrN3O3S/c1-8-4-5-9-11(6-8)24-15(12(9)16(22)23-3)19-14(21)13-10(17)7-18-20(13)2/h7-8H,4-6H2,1-3H3,(H,19,21)
InChIKey NUHOYXRVCYPGPP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_297
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: NMR/8306766; Labnumber: PNA-0006773