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N-(4-ethylphenyl)-2-(5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
SpectraBase Compound ID 8kBTqB4uTXH
InChI InChI=1S/C21H21N5O4/c1-3-13-4-6-14(7-5-13)22-17(27)12-25-19-18(23-24-25)20(28)26(21(19)29)15-8-10-16(30-2)11-9-15/h4-11,18-19H,3,12H2,1-2H3,(H,22,27)
InChIKey DYBRMLFAAJODQR-UHFFFAOYSA-N
Mol Weight 407.43 g/mol
Molecular Formula C21H21N5O4
Exact Mass 407.159354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fn7XxkEAVOD
Name N-(4-ethylphenyl)-2-(5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.159354172 u
Formula C21H21N5O4
InChI InChI=1S/C21H21N5O4/c1-3-13-4-6-14(7-5-13)22-17(27)12-25-19-18(23-24-25)20(28)26(21(19)29)15-8-10-16(30-2)11-9-15/h4-11,18-19H,3,12H2,1-2H3,(H,22,27)
InChIKey DYBRMLFAAJODQR-UHFFFAOYSA-N
Molecular Weight 407.430 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9884
Solvent DMSO-d6
Source Vendor ID: NMR/13229976