| SpectraBase Spectrum ID |
8gCGZkYk1pV |
| Name |
1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.038499323 u |
| Formula |
C17H15Cl2N7O2S |
| InChI |
InChI=1S/C17H15Cl2N7O2S/c1-23-8-20-22-16(23)29-15-21-13-12(14(27)25(3)17(28)24(13)2)26(15)7-9-4-5-10(18)11(19)6-9/h4-6,8H,7H2,1-3H3 |
| InChIKey |
VVNNQZMQMRRSMX-UHFFFAOYSA-N |
| Molecular Weight |
452.320 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6353 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9263902; Lab Info: SAD; Lab Number: SAD-DAST753 |
![1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-](/api/spectrum/8gCGZkYk1pV/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-")
