| SpectraBase Spectrum ID |
DYRknKSApgr |
| Name |
isopropyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.101955070 u |
| Formula |
C21H22ClN3O4S |
| InChI |
InChI=1S/C21H22ClN3O4S/c1-12(2)28-21(27)18-15-5-3-4-6-17(15)30-20(18)24-19(26)16-8-7-14(29-16)11-25-10-13(22)9-23-25/h7-10,12H,3-6,11H2,1-2H3,(H,24,26) |
| InChIKey |
UDUBTFVIJHTICL-UHFFFAOYSA-N |
| Molecular Weight |
447.937 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_3468 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12289362 |
![isopropyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/DYRknKSApgr/structure.png?h=300&w=458 "isopropyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
