| SpectraBase Spectrum ID |
IhGnmN8tWIY |
| Name |
benzoic acid, 2-[[[(7-ethyl-3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-, methyl 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 |
533.144298705 u |
| Formula |
C28H27N3O4S2 |
| InChI |
InChI=1S/C28H27N3O4S2/c1-3-17-13-14-20-22(15-17)37-25-24(20)26(33)31(18-9-5-4-6-10-18)28(30-25)36-16-23(32)29-21-12-8-7-11-19(21)27(34)35-2/h4-12,17H,3,13-16H2,1-2H3,(H,29,32) |
| InChIKey |
FQBWBXJAYZMWEI-UHFFFAOYSA-N |
| Molecular Weight |
533.661 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13371 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10300107; Lab Info: LP; Lab Number: LP-205632 |
![benzoic acid, 2-[[[(7-ethyl-3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-, methyl ester](/api/spectrum/IhGnmN8tWIY/structure.png?h=300&w=458 "benzoic acid, 2-[[[(7-ethyl-3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-, methyl ester")
