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N-(4-acetylphenyl)-2-(5-(3-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
SpectraBase Compound ID GRBcEjvtdYP
InChI InChI=1S/C20H16BrN5O4/c1-11(27)12-5-7-14(8-6-12)22-16(28)10-25-18-17(23-24-25)19(29)26(20(18)30)15-4-2-3-13(21)9-15/h2-9,17-18H,10H2,1H3,(H,22,28)
InChIKey YKBYLLJCTOVQHU-UHFFFAOYSA-N
Mol Weight 470.28 g/mol
Molecular Formula C20H16BrN5O4
Exact Mass 469.038567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4WUr1GdETlT
Name N-(4-acetylphenyl)-2-(5-(3-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16BrN5O4/c1-11(27)12-5-7-14(8-6-12)22-16(28)10-25-18-17(23-24-25)19(29)26(20(18)30)15-4-2-3-13(21)9-15/h2-9,17-18H,10H2,1H3,(H,22,28)
InChIKey YKBYLLJCTOVQHU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9069
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1265382; Labnumber: Gbb0347; UZI_ID: UZI-009071
Temperature 308 °C