| SpectraBase Spectrum ID |
3hrgmma3ADd |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-phenyl-3-tricyclo[3.3.1.1~3,7~]dec-1-yl-1H-pyrazol-4-yl)carbonyl]amino]-, ethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
529.239913170 u |
| Formula |
C31H35N3O3S |
| InChI |
InChI=1S/C31H35N3O3S/c1-2-37-30(36)26-23-10-6-7-11-25(23)38-29(26)32-28(35)24-18-34(22-8-4-3-5-9-22)33-27(24)31-15-19-12-20(16-31)14-21(13-19)17-31/h3-5,8-9,18-21H,2,6-7,10-17H2,1H3,(H,32,35)/t19-,20+,21-,31- |
| InChIKey |
XBXIDKXRXVCYQB-YAUPNFBRSA-N |
| Molecular Weight |
529.699 g/mol |
| NMR Offset |
15.0036 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_716 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9216390; Lab Info: SMM; Lab Number: SMM-0000140 |
| Temperature |
23.85 °C |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-phenyl-3-tricyclo[3.3.1.1~3,7~]dec-1-yl-1H-pyrazol-4-yl)carbonyl]amino]-, ethyl ester](/api/spectrum/3hrgmma3ADd/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(1-phenyl-3-tricyclo[3.3.1.1~3,7~]dec-1-yl-1H-pyrazol-4-yl)carbonyl]amino]-, ethyl ester")
