| SpectraBase Spectrum ID |
BbZxb9qUtKp |
| Name |
acetic acid, [[3,4,5,6,7,8-hexahydro-3-(4-methoxyphenyl)-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-, ethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.102099540 u |
| Formula |
C21H22N2O4S2 |
| InChI |
InChI=1S/C21H22N2O4S2/c1-3-27-17(24)12-28-21-22-19-18(15-6-4-5-7-16(15)29-19)20(25)23(21)13-8-10-14(26-2)11-9-13/h8-11H,3-7,12H2,1-2H3 |
| InChIKey |
BDKLYPZPJIESKV-UHFFFAOYSA-N |
| Molecular Weight |
430.537 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10885 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9216050; Lab Info: ART; Lab Number: ART-MPV0099 |
![acetic acid, [[3,4,5,6,7,8-hexahydro-3-(4-methoxyphenyl)-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-, ethyl ester](/api/spectrum/BbZxb9qUtKp/structure.png?h=300&w=458 "acetic acid, [[3,4,5,6,7,8-hexahydro-3-(4-methoxyphenyl)-4-oxobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-, ethyl ester")
