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2-(5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-phenylacetamide
SpectraBase Compound ID IAJ9yTOoK9M
InChI InChI=1S/C18H14ClN5O3/c19-11-6-8-13(9-7-11)24-17(26)15-16(18(24)27)23(22-21-15)10-14(25)20-12-4-2-1-3-5-12/h1-9,15-16H,10H2,(H,20,25)
InChIKey BGKXUSYEXXDXAN-UHFFFAOYSA-N
Mol Weight 383.8 g/mol
Molecular Formula C18H14ClN5O3
Exact Mass 383.078517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HkwTVnrqUsB
Name 2-(5-(4-chlorophenyl)-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/C18H14ClN5O3/c19-11-6-8-13(9-7-11)24-17(26)15-16(18(24)27)23(22-21-15)10-14(25)20-12-4-2-1-3-5-12/h1-9,15-16H,10H2,(H,20,25)
InChIKey BGKXUSYEXXDXAN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9065
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/1265958; Labnumber: Gbb0338; UZI_ID: UZI-009067
Temperature 308 °C