| SpectraBase Spectrum ID |
BPmTvqi13ah |
| Name |
3-pyrrolidinecarboxamide, 1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-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 |
413.096475768 u |
| Formula |
C21H20ClN3O2S |
| InChI |
InChI=1S/C21H20ClN3O2S/c1-12-16(22)6-4-7-17(12)25-11-13(9-19(25)26)20(27)24-21-15(10-23)14-5-2-3-8-18(14)28-21/h4,6-7,13H,2-3,5,8-9,11H2,1H3,(H,24,27) |
| InChIKey |
IWIZUAXKWJLWAN-UHFFFAOYSA-N |
| Molecular Weight |
413.923 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11569 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10271061; Lab Info: LP; Lab Number: LP-0201551 |
![3-pyrrolidinecarboxamide, 1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-](/api/spectrum/BPmTvqi13ah/structure.png?h=300&w=458 "3-pyrrolidinecarboxamide, 1-(3-chloro-2-methylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-")
