SpectraBase Spectrum ID |
4NXb1NFcePC |
Name |
1H-isoindole-2-acetamide, N-(2,5-dimethoxyphenyl)-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 |
400.145678431 u |
Formula |
C21H24N2O4S |
InChI |
InChI=1S/C21H24N2O4S/c1-26-15-8-9-19(27-2)17(12-15)22-20(24)18(10-11-28-3)23-13-14-6-4-5-7-16(14)21(23)25/h4-9,12,18H,10-11,13H2,1-3H3,(H,22,24) |
InChIKey |
AAZYXFVOTZYWHV-UHFFFAOYSA-N |
Molecular Weight |
400.493 g/mol |
NMR Offset |
18.0394 |
NMR Spectrometer Frequency |
500.136 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_682 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12669749 |