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1H-1,2,4-triazole-1-acetic acid, alpha-[2-(4-bromophenyl)-2-oxoethyl]-, methyl ester
SpectraBase Compound ID in27afKSgM
InChI InChI=1S/C13H12BrN3O3/c1-20-13(19)11(17-8-15-7-16-17)6-12(18)9-2-4-10(14)5-3-9/h2-5,7-8,11H,6H2,1H3
InChIKey QJDDLTVJPKZADC-UHFFFAOYSA-N
Mol Weight 338.16 g/mol
Molecular Formula C13H12BrN3O3
Exact Mass 337.006204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IdjFeAeiV5T
Name 1H-1,2,4-triazole-1-acetic acid, alpha-[2-(4-bromophenyl)-2-oxoethyl]-, methyl 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 337.006204255 u
Formula C13H12BrN3O3
InChI InChI=1S/C13H12BrN3O3/c1-20-13(19)11(17-8-15-7-16-17)6-12(18)9-2-4-10(14)5-3-9/h2-5,7-8,11H,6H2,1H3
InChIKey QJDDLTVJPKZADC-UHFFFAOYSA-N
Molecular Weight 338.161 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7669
Solvent DMSO-d6
Source Vendor ID: NMR/13308462