| SpectraBase Spectrum ID |
1DHz0roS9He |
| Name |
1,3-dimethyl-8-[(1H-tetraazol-5-ylmethyl)sulfanyl]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C17H15F3N8O2S/c1-26-13-12(14(29)27(2)16(26)30)28(15(21-13)31-8-11-22-24-25-23-11)7-9-4-3-5-10(6-9)17(18,19)20/h3-6H,7-8H2,1-2H3,(H,22,23,24,25) |
| InChIKey |
VSVOVXDGONVHOZ-UHFFFAOYSA-N |
| NMR Offset |
15.449 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_36045 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: E98643; SBI_ID: SBI-036049 |
| Temperature |
298 °C |
![1,3-dimethyl-8-[(1H-tetraazol-5-ylmethyl)sulfanyl]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/1DHz0roS9He/structure.png?h=300&w=458 "1,3-dimethyl-8-[(1H-tetraazol-5-ylmethyl)sulfanyl]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione")
