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pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-[4-(1-methylethyl)phenyl]-4,6-dioxo-

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pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-[4-(1-methylethyl)phenyl]-4,6-dioxo-
SpectraBase Compound ID 51gmcnfavGX
InChI InChI=1S/C21H20ClN5O3/c1-12(2)13-6-8-15(9-7-13)23-17(28)11-26-19-18(24-25-26)20(29)27(21(19)30)16-5-3-4-14(22)10-16/h3-10,12,18-19H,11H2,1-2H3,(H,23,28)
InChIKey XCIKKZCKINKRLP-UHFFFAOYSA-N
Mol Weight 425.88 g/mol
Molecular Formula C21H20ClN5O3
Exact Mass 425.125467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DK0ikeGUG3z
Name pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-[4-(1-methylethyl)phenyl]-4,6-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.125467221 u
Formula C21H20ClN5O3
InChI InChI=1S/C21H20ClN5O3/c1-12(2)13-6-8-15(9-7-13)23-17(28)11-26-19-18(24-25-26)20(29)27(21(19)30)16-5-3-4-14(22)10-16/h3-10,12,18-19H,11H2,1-2H3,(H,23,28)
InChIKey XCIKKZCKINKRLP-UHFFFAOYSA-N
Molecular Weight 425.876 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_60
Solvent DMSO-d6
Source Vendor ID: NMR/13238412