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methyl 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 8X5miYrVQ0K
InChI InChI=1S/C12H12BrN5O3/c1-21-12(20)10-11(14)18(17-16-10)6-9(19)15-8-4-2-7(13)3-5-8/h2-5H,6,14H2,1H3,(H,15,19)
InChIKey QCYMUXUBLDZWIS-UHFFFAOYSA-N
Mol Weight 354.16 g/mol
Molecular Formula C12H12BrN5O3
Exact Mass 353.012352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 75Y9qEaIJ8E
Name methyl 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.012352263 u
Formula C12H12BrN5O3
InChI InChI=1S/C12H12BrN5O3/c1-21-12(20)10-11(14)18(17-16-10)6-9(19)15-8-4-2-7(13)3-5-8/h2-5H,6,14H2,1H3,(H,15,19)
InChIKey QCYMUXUBLDZWIS-UHFFFAOYSA-N
Molecular Weight 354.164 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7964
Solvent DMSO-d6
Source Vendor ID: NMR/13218899