| SpectraBase Spectrum ID |
26L5NIgShMP |
| Name |
N-(1,3-benzodioxol-5-ylmethyl)-4-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.130028366 u |
| Formula |
C21H22N2O4S |
| InChI |
InChI=1S/C21H22N2O4S/c1-28-9-8-17(23-12-15-4-2-3-5-16(15)21(23)25)20(24)22-11-14-6-7-18-19(10-14)27-13-26-18/h2-7,10,17H,8-9,11-13H2,1H3,(H,22,24) |
| InChIKey |
GAOFENDJJWRQIJ-UHFFFAOYSA-N |
| Molecular Weight |
398.477 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_8949 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12669682 |
| Temperature |
29.85 °C |
