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2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID LrhSMKlRRai
InChI InChI=1S/C24H18ClN5O4/c25-15-5-4-6-17(13-15)30-23(32)21-22(24(30)33)29(28-27-21)14-20(31)26-16-9-11-19(12-10-16)34-18-7-2-1-3-8-18/h1-13,21-22H,14H2,(H,26,31)
InChIKey AUJFICOXWHPAQO-UHFFFAOYSA-N
Mol Weight 475.89 g/mol
Molecular Formula C24H18ClN5O4
Exact Mass 475.104732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hp6BnocI7aM
Name 2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(4-phenoxyphenyl)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 475.104731776 u
Formula C24H18ClN5O4
InChI InChI=1S/C24H18ClN5O4/c25-15-5-4-6-17(13-15)30-23(32)21-22(24(30)33)29(28-27-21)14-20(31)26-16-9-11-19(12-10-16)34-18-7-2-1-3-8-18/h1-13,21-22H,14H2,(H,26,31)
InChIKey AUJFICOXWHPAQO-UHFFFAOYSA-N
Molecular Weight 475.892 g/mol
NMR Offset 17.9984
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9784
Solvent DMSO-d6
Source Vendor ID: NMR/13229827