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diethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
SpectraBase Compound ID IYwKBjohAIC
InChI InChI=1S/C17H19ClN4O5/c1-4-26-16(24)14-15(17(25)27-5-2)22(21-20-14)9-13(23)19-11-7-6-10(3)12(18)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,23)
InChIKey QWSRUYVPIICQQO-UHFFFAOYSA-N
Mol Weight 394.82 g/mol
Molecular Formula C17H19ClN4O5
Exact Mass 394.104397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iv2YVpieau6
Name diethyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.104397423 u
Formula C17H19ClN4O5
InChI InChI=1S/C17H19ClN4O5/c1-4-26-16(24)14-15(17(25)27-5-2)22(21-20-14)9-13(23)19-11-7-6-10(3)12(18)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,23)
InChIKey QWSRUYVPIICQQO-UHFFFAOYSA-N
Molecular Weight 394.815 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9891
Solvent DMSO-d6
Source Vendor ID: NMR/13229995