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5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-(4-ethylphenyl)-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID ES1qcKv8cSq
InChI InChI=1S/C20H21ClN6O3/c1-3-12-4-6-13(7-5-12)24-20(29)18-19(22)27(26-25-18)11-17(28)23-14-8-9-16(30-2)15(21)10-14/h4-10H,3,11,22H2,1-2H3,(H,23,28)(H,24,29)
InChIKey XSHIAJQHHFJGOD-UHFFFAOYSA-N
Mol Weight 428.88 g/mol
Molecular Formula C20H21ClN6O3
Exact Mass 428.136366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 84QEUuQcoeq
Name 5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-(4-ethylphenyl)-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 428.136366257 u
Formula C20H21ClN6O3
InChI InChI=1S/C20H21ClN6O3/c1-3-12-4-6-13(7-5-12)24-20(29)18-19(22)27(26-25-18)11-17(28)23-14-8-9-16(30-2)15(21)10-14/h4-10H,3,11,22H2,1-2H3,(H,23,28)(H,24,29)
InChIKey XSHIAJQHHFJGOD-UHFFFAOYSA-N
Molecular Weight 428.880 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7332
Solvent DMSO-d6
Source Vendor ID: NMR/13218095