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ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID BuoUw1Nm1wp
InChI InChI=1S/C17H20BrN3O3S/c1-3-21-9-11(18)14(20-21)15(22)19-16-13(17(23)24-4-2)10-7-5-6-8-12(10)25-16/h9H,3-8H2,1-2H3,(H,19,22)
InChIKey FZDZVHVAMURATE-UHFFFAOYSA-N
Mol Weight 426.33 g/mol
Molecular Formula C17H20BrN3O3S
Exact Mass 425.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lmGoRk3x0U
Name ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)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/C17H20BrN3O3S/c1-3-21-9-11(18)14(20-21)15(22)19-16-13(17(23)24-4-2)10-7-5-6-8-12(10)25-16/h9H,3-8H2,1-2H3,(H,19,22)
InChIKey FZDZVHVAMURATE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17752
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/9068074; UBI_ID: UBI-017755
Temperature 308 °C