| SpectraBase Spectrum ID |
11CCTR36Tj2 |
| Name |
1H-purine-2,6-dione, 3,7-dihydro-8-[[1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.112086881 u |
| Formula |
C18H18N8O5S |
| InChI |
InChI=1S/C18H18N8O5S/c1-22-13-14(23(2)18(28)24(3)15(13)27)20-17(22)32-16-19-9-25(21-16)8-10-5-6-12(31-4)11(7-10)26(29)30/h5-7,9H,8H2,1-4H3 |
| InChIKey |
SNUOIERUYYRSFI-UHFFFAOYSA-N |
| Molecular Weight |
458.453 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17462 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10321446; Lab Info: LP; Lab Number: LP-3701317 |
![1H-purine-2,6-dione, 3,7-dihydro-8-[[1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-](/api/spectrum/11CCTR36Tj2/structure.png?h=300&w=458 "1H-purine-2,6-dione, 3,7-dihydro-8-[[1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl]thio]-1,3,7-trimethyl-")
