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N-(2-chloro-4-methylphenyl)-2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide

View entire compound with spectra: 1 NMR

N-(2-chloro-4-methylphenyl)-2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
SpectraBase Compound ID C3CcK9RNLGw
InChI InChI=1S/C19H15Cl2N5O3/c1-10-5-6-14(13(21)7-10)22-15(27)9-25-17-16(23-24-25)18(28)26(19(17)29)12-4-2-3-11(20)8-12/h2-8,16-17H,9H2,1H3,(H,22,27)
InChIKey CPSAPCHORIWKHC-UHFFFAOYSA-N
Mol Weight 432.27 g/mol
Molecular Formula C19H15Cl2N5O3
Exact Mass 431.055195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BNvrIooT37d
Name N-(2-chloro-4-methylphenyl)-2-(5-(3-chlorophenyl)-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 431.055194760 u
Formula C19H15Cl2N5O3
InChI InChI=1S/C19H15Cl2N5O3/c1-10-5-6-14(13(21)7-10)22-15(27)9-25-17-16(23-24-25)18(28)26(19(17)29)12-4-2-3-11(20)8-12/h2-8,16-17H,9H2,1H3,(H,22,27)
InChIKey CPSAPCHORIWKHC-UHFFFAOYSA-N
Molecular Weight 432.267 g/mol
NMR Offset 18.0002
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9787
Solvent DMSO-d6
Source Vendor ID: NMR/13229830