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1,2,4-oxadiazole-5-carboxylic acid, 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, ethyl ester
SpectraBase Compound ID DSlTgppvjiS
InChI InChI=1S/C11H13BrN4O3/c1-4-18-11(17)10-13-8(15-19-10)5-16-7(3)9(12)6(2)14-16/h4-5H2,1-3H3
InChIKey XJOJNRYBKZPFQK-UHFFFAOYSA-N
Mol Weight 329.15 g/mol
Molecular Formula C11H13BrN4O3
Exact Mass 328.017103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVWyxjEcRor
Name 1,2,4-oxadiazole-5-carboxylic acid, 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.017103292 u
Formula C11H13BrN4O3
InChI InChI=1S/C11H13BrN4O3/c1-4-18-11(17)10-13-8(15-19-10)5-16-7(3)9(12)6(2)14-16/h4-5H2,1-3H3
InChIKey XJOJNRYBKZPFQK-UHFFFAOYSA-N
Molecular Weight 329.154 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9128
Solvent DMSO-d6
Source Vendor ID: NMR/14211206; Lab Info: PNA; Lab Number: PNA-0000002