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5H-pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-6-(4-methylphenyl)-7-[[3-(trifluoromethyl)phenyl]amino]-
SpectraBase Compound ID K3xhQQ3DhH7
InChI InChI=1S/C21H16F3N3O/c1-13-7-9-16(10-8-13)27-19(18-17(20(27)28)6-3-11-25-18)26-15-5-2-4-14(12-15)21(22,23)24/h2-12,19,26H,1H3
InChIKey CDOGFTMRWDPCKE-UHFFFAOYSA-N
Mol Weight 383.37 g/mol
Molecular Formula C21H16F3N3O
Exact Mass 383.124547 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDxXETTXuDR
Name 5H-pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-6-(4-methylphenyl)-7-[[3-(trifluoromethyl)phenyl]amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.124546635 u
Formula C21H16F3N3O
InChI InChI=1S/C21H16F3N3O/c1-13-7-9-16(10-8-13)27-19(18-17(20(27)28)6-3-11-25-18)26-15-5-2-4-14(12-15)21(22,23)24/h2-12,19,26H,1H3
InChIKey CDOGFTMRWDPCKE-UHFFFAOYSA-N
Molecular Weight 383.374 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8212
Solvent DMSO-d6
Source Vendor ID: NMR/12719592