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ethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID DhEBKpha3TZ
InChI InChI=1S/C15H15BrN4O3S/c1-4-20-11(10(16)7-18-20)13(21)19-14-9(6-17)8(3)12(24-14)15(22)23-5-2/h7H,4-5H2,1-3H3,(H,19,21)
InChIKey XLAJYSLBQBKFCO-UHFFFAOYSA-N
Mol Weight 411.27 g/mol
Molecular Formula C15H15BrN4O3S
Exact Mass 410.004825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1nq5COgKhwF
Name ethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.004824530 u
Formula C15H15BrN4O3S
InChI InChI=1S/C15H15BrN4O3S/c1-4-20-11(10(16)7-18-20)13(21)19-14-9(6-17)8(3)12(24-14)15(22)23-5-2/h7H,4-5H2,1-3H3,(H,19,21)
InChIKey XLAJYSLBQBKFCO-UHFFFAOYSA-N
Molecular Weight 411.274 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9107
Solvent DMSO-d6
Source Vendor ID: NMR/13228325