SpectraBase Spectrum ID |
CMQwlCJhks5 |
Name |
1H-isoindole-2-acetamide, N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-alpha-[2-(methylthio)ethyl]-1-oxo- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.096141415 u |
Formula |
C20H21ClN2O3S |
InChI |
InChI=1S/C20H21ClN2O3S/c1-26-18-8-7-14(11-16(18)21)22-19(24)17(9-10-27-2)23-12-13-5-3-4-6-15(13)20(23)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,24) |
InChIKey |
IMTHRNUJRBAPTH-UHFFFAOYSA-N |
Molecular Weight |
404.912 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_147 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12669626 |