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2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID HxgHeSmHFGR
InChI InChI=1S/C15H16BrN5O4S/c1-7-12(16)14(21(24)25)19-20(7)6-10(22)18-15-11(13(17)23)8-4-2-3-5-9(8)26-15/h2-6H2,1H3,(H2,17,23)(H,18,22)
InChIKey XQGAAVCUFGTODK-UHFFFAOYSA-N
Mol Weight 442.29 g/mol
Molecular Formula C15H16BrN5O4S
Exact Mass 441.010638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANuhPIzktjK
Name 2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]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/C15H16BrN5O4S/c1-7-12(16)14(21(24)25)19-20(7)6-10(22)18-15-11(13(17)23)8-4-2-3-5-9(8)26-15/h2-6H2,1H3,(H2,17,23)(H,18,22)
InChIKey XQGAAVCUFGTODK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9552
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/8051572; Labnumber: IDV-0004245; UZI_ID: UZI-009554
Temperature 318 °C