| SpectraBase Spectrum ID |
AUToSiAS5P7 |
| Name |
3-(3-bromophenyl)-2-(butylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.038433335 u |
| Formula |
C21H23BrN2O2S2 |
| InChI |
InChI=1S/C21H23BrN2O2S2/c1-4-5-9-27-20-23-18-17(15-11-21(2,3)26-12-16(15)28-18)19(25)24(20)14-8-6-7-13(22)10-14/h6-8,10H,4-5,9,11-12H2,1-3H3 |
| InChIKey |
NOSQCJIMLQYDDX-UHFFFAOYSA-N |
| Molecular Weight |
479.451 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_2042 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12278811 |
![3-(3-bromophenyl)-2-(butylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one](/api/spectrum/AUToSiAS5P7/structure.png?h=300&w=458 "3-(3-bromophenyl)-2-(butylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one")
