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5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-(4-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID Gx9HgWzUgmi
InChI InChI=1S/C19H19BrN6O2/c1-12-2-4-13(5-3-12)10-22-19(28)17-18(21)26(25-24-17)11-16(27)23-15-8-6-14(20)7-9-15/h2-9H,10-11,21H2,1H3,(H,22,28)(H,23,27)
InChIKey CVHQEWZOFBEJPX-UHFFFAOYSA-N
Mol Weight 443.31 g/mol
Molecular Formula C19H19BrN6O2
Exact Mass 442.075287 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dhs6VKYp04E
Name 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-(4-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.075286874 u
Formula C19H19BrN6O2
InChI InChI=1S/C19H19BrN6O2/c1-12-2-4-13(5-3-12)10-22-19(28)17-18(21)26(25-24-17)11-16(27)23-15-8-6-14(20)7-9-15/h2-9H,10-11,21H2,1H3,(H,22,28)(H,23,27)
InChIKey CVHQEWZOFBEJPX-UHFFFAOYSA-N
Molecular Weight 443.305 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6314
Solvent DMSO-d6
Source Vendor ID: NMR/12328460