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isopropyl 5-(aminocarbonyl)-2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 6u9zHzHYAhX
InChI InChI=1S/C16H19BrN4O4S/c1-5-21-6-9(17)11(20-21)14(23)19-15-10(16(24)25-7(2)3)8(4)12(26-15)13(18)22/h6-7H,5H2,1-4H3,(H2,18,22)(H,19,23)
InChIKey HIOQGACMVBORNS-UHFFFAOYSA-N
Mol Weight 443.32 g/mol
Molecular Formula C16H19BrN4O4S
Exact Mass 442.031039 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6L0P8mtLUS5
Name isopropyl 5-(aminocarbonyl)-2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-methyl-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/C16H19BrN4O4S/c1-5-21-6-9(17)11(20-21)14(23)19-15-10(16(24)25-7(2)3)8(4)12(26-15)13(18)22/h6-7H,5H2,1-4H3,(H2,18,22)(H,19,23)
InChIKey HIOQGACMVBORNS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2468
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: 9312893; UBI_ID: UBI-002469
Temperature 313 °C