| SpectraBase Spectrum ID |
5kfxMN3YNZA |
| Name |
1H-purine-2,6-dione, 8-(hexylthio)-3,7-dihydro-3-methyl-7-[(4-methylphenyl)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 |
386.177647265 u |
| Formula |
C20H26N4O2S |
| InChI |
InChI=1S/C20H26N4O2S/c1-4-5-6-7-12-27-20-21-17-16(18(25)22-19(26)23(17)3)24(20)13-15-10-8-14(2)9-11-15/h8-11H,4-7,12-13H2,1-3H3,(H,22,25,26) |
| InChIKey |
UHWOOPZOIQJNMR-UHFFFAOYSA-N |
| Molecular Weight |
386.514 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3082 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9258469; Lab Number: BAS 0964143 |
| Temperature |
29.85 °C |
![1H-purine-2,6-dione, 8-(hexylthio)-3,7-dihydro-3-methyl-7-[(4-methylphenyl)methyl]-](/api/spectrum/5kfxMN3YNZA/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-(hexylthio)-3,7-dihydro-3-methyl-7-[(4-methylphenyl)methyl]-")
