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2-({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID LDvwPLlccMv
InChI InChI=1S/C20H19BrN4O2S/c21-14-9-23-25(11-14)10-12-5-7-13(8-6-12)19(27)24-20-17(18(22)26)15-3-1-2-4-16(15)28-20/h5-9,11H,1-4,10H2,(H2,22,26)(H,24,27)
InChIKey WXYBWAQNPBPIPS-UHFFFAOYSA-N
Mol Weight 459.36 g/mol
Molecular Formula C20H19BrN4O2S
Exact Mass 458.04121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56VWK9P2VGS
Name 2-({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C20H19BrN4O2S/c21-14-9-23-25(11-14)10-12-5-7-13(8-6-12)19(27)24-20-17(18(22)26)15-3-1-2-4-16(15)28-20/h5-9,11H,1-4,10H2,(H2,22,26)(H,24,27)
InChIKey WXYBWAQNPBPIPS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13305
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/9099321; UBI_ID: UBI-013308
Temperature 308 °C