| SpectraBase Spectrum ID |
Ec1TdTcHmAz |
| Name |
1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3,7-dihydro-3-methyl-8-(octylthio)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.103810297 u |
| Formula |
C21H27BrN4O2S |
| InChI |
InChI=1S/C21H27BrN4O2S/c1-3-4-5-6-7-8-12-29-21-23-18-17(19(27)24-20(28)25(18)2)26(21)14-15-10-9-11-16(22)13-15/h9-11,13H,3-8,12,14H2,1-2H3,(H,24,27,28) |
| InChIKey |
NMZUGOFYXPZJRW-UHFFFAOYSA-N |
| Molecular Weight |
479.437 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3077 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9258460; Lab Info: *0491829*; Lab Number: BAS 0491829 |
| Temperature |
29.85 °C |
![1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3,7-dihydro-3-methyl-8-(octylthio)-](/api/spectrum/Ec1TdTcHmAz/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3,7-dihydro-3-methyl-8-(octylthio)-")
