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 |