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5H-pyrrolo[3,4-b]pyridin-5-one, 7-[(4-chloro-2-methoxy-5-methylphenyl)amino]-6,7-dihydro-6-(2-thienylmethyl)-
SpectraBase Compound ID HDuc6S3ooAM
InChI InChI=1S/C20H18ClN3O2S/c1-12-9-16(17(26-2)10-15(12)21)23-19-18-14(6-3-7-22-18)20(25)24(19)11-13-5-4-8-27-13/h3-10,19,23H,11H2,1-2H3
InChIKey SMWBPSGIMHEOEY-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1UGo0HVs8yb
Name 5H-pyrrolo[3,4-b]pyridin-5-one, 7-[(4-chloro-2-methoxy-5-methylphenyl)amino]-6,7-dihydro-6-(2-thienylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.080825704 u
Formula C20H18ClN3O2S
InChI InChI=1S/C20H18ClN3O2S/c1-12-9-16(17(26-2)10-15(12)21)23-19-18-14(6-3-7-22-18)20(25)24(19)11-13-5-4-8-27-13/h3-10,19,23H,11H2,1-2H3
InChIKey SMWBPSGIMHEOEY-UHFFFAOYSA-N
Molecular Weight 399.896 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7144
Solvent DMSO-d6
Source Vendor ID: NMR/12719078
Temperature 23.85 °C