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2-(5-(3-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-phenylacetamide
SpectraBase Compound ID C9eXbPlonFl
InChI InChI=1S/C18H14BrN5O3/c19-11-5-4-8-13(9-11)24-17(26)15-16(18(24)27)23(22-21-15)10-14(25)20-12-6-2-1-3-7-12/h1-9,15-16H,10H2,(H,20,25)
InChIKey RQSKWQYIQLRYTJ-UHFFFAOYSA-N
Mol Weight 428.25 g/mol
Molecular Formula C18H14BrN5O3
Exact Mass 427.028002 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CeLOzTbQVIY
Name 2-(5-(3-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-phenylacetamide
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/C18H14BrN5O3/c19-11-5-4-8-13(9-11)24-17(26)15-16(18(24)27)23(22-21-15)10-14(25)20-12-6-2-1-3-7-12/h1-9,15-16H,10H2,(H,20,25)
InChIKey RQSKWQYIQLRYTJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9064
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/1265598; Labnumber: Gbb0337; UZI_ID: UZI-009066
Temperature 308 °C