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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-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methylphenyl)-4,6-dioxo-
SpectraBase Compound ID 191CCjIScfo
InChI InChI=1S/C20H18ClN5O4/c1-11-6-7-15(30-2)14(8-11)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)13-5-3-4-12(21)9-13/h3-9,17-18H,10H2,1-2H3,(H,22,27)
InChIKey BYJIJEYTAYEKQH-UHFFFAOYSA-N
Mol Weight 427.85 g/mol
Molecular Formula C20H18ClN5O4
Exact Mass 427.104732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CIa7twpLRL6
Name pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-N-(2-methoxy-5-methylphenyl)-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 427.104731776 u
Formula C20H18ClN5O4
InChI InChI=1S/C20H18ClN5O4/c1-11-6-7-15(30-2)14(8-11)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)13-5-3-4-12(21)9-13/h3-9,17-18H,10H2,1-2H3,(H,22,27)
InChIKey BYJIJEYTAYEKQH-UHFFFAOYSA-N
Molecular Weight 427.848 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_59
Solvent DMSO-d6
Source Vendor ID: NMR/13238411