| SpectraBase Spectrum ID |
AnptD0sR2vl |
| Name |
benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.091534857 u |
| Formula |
C24H20N2O3S2 |
| InChI |
InChI=1S/C24H20N2O3S2/c27-22-20-18-8-4-5-9-19(18)31-21(20)25-24(26(22)17-6-2-1-3-7-17)30-14-15-10-12-16(13-11-15)23(28)29/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,28,29) |
| InChIKey |
JDEMLFSUNRYLRS-UHFFFAOYSA-N |
| Molecular Weight |
448.555 g/mol |
| NMR Offset |
16.1752 |
| NMR Spectrometer Frequency |
200.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_23 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/8265366; Lab Info: LP; Lab Number: LP-2180631 |
| Temperature |
39.85 °C |
![benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-](/api/spectrum/AnptD0sR2vl/structure.png?h=300&w=458 "benzoic acid, 4-[[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-")
