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methyl 2-[({1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID Ag3jGir3M1i
InChI InChI=1S/C16H16BrN5O3S/c1-9-10(2)26-15(13(9)16(24)25-3)19-14(23)12-4-5-21(20-12)8-22-7-11(17)6-18-22/h4-7H,8H2,1-3H3,(H,19,23)
InChIKey CZCFKDUPCITQRO-UHFFFAOYSA-N
Mol Weight 438.3 g/mol
Molecular Formula C16H16BrN5O3S
Exact Mass 437.015724 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CAGakNVzTZk
Name methyl 2-[({1-[(4-bromo-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)amino]-4,5-dimethyl-3-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/C16H16BrN5O3S/c1-9-10(2)26-15(13(9)16(24)25-3)19-14(23)12-4-5-21(20-12)8-22-7-11(17)6-18-22/h4-7H,8H2,1-3H3,(H,19,23)
InChIKey CZCFKDUPCITQRO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16596
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/1262929; Labnumber: OLG0960; UZI_ID: UZI-016600
Temperature 308 °C