| SpectraBase Spectrum ID |
4yh08sYlD2n |
| Name |
4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetyl]amino]-5,6-dihydro-, 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 |
545.019094869 u |
| Formula |
C22H20BrN5O3S2 |
| InChI |
InChI=1S/C22H20BrN5O3S2/c1-3-31-21(30)17-12-5-4-6-15(12)33-20(17)24-16(29)10-32-22-25-19-18(26-27-22)13-9-11(23)7-8-14(13)28(19)2/h7-9H,3-6,10H2,1-2H3,(H,24,29) |
| InChIKey |
OYPYAUSIGKKJMX-UHFFFAOYSA-N |
| Molecular Weight |
546.458 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1706 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8165975; Lab Info: L-19,Kulikov; Lab Number: L-19/0010026 |
![4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester](/api/spectrum/4yh08sYlD2n/structure.png?h=300&w=458 "4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetyl]amino]-5,6-dihydro-, ethyl ester")
