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ethyl 5-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID 2x8o1MzoEwK
InChI InChI=1S/C20H17BrN4O3S/c1-3-28-20(27)17-12(2)16(8-22)19(29-17)24-18(26)14-6-4-5-13(7-14)10-25-11-15(21)9-23-25/h4-7,9,11H,3,10H2,1-2H3,(H,24,26)
InChIKey XVTYJPRVWJGQRX-UHFFFAOYSA-N
Mol Weight 473.35 g/mol
Molecular Formula C20H17BrN4O3S
Exact Mass 472.020475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sEoKNofEwa
Name ethyl 5-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4-cyano-3-methyl-2-thiophenecarboxylate
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/C20H17BrN4O3S/c1-3-28-20(27)17-12(2)16(8-22)19(29-17)24-18(26)14-6-4-5-13(7-14)10-25-11-15(21)9-23-25/h4-7,9,11H,3,10H2,1-2H3,(H,24,26)
InChIKey XVTYJPRVWJGQRX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5071
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/8144908; UBI_ID: UBI-005073
Temperature 318 °C